methyl N-[[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]methyl]carbamate

C37H48N4O4 — CID 142430892

IUPACmethyl N-[[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]methyl]carbamate
SMILESCOC(=O)NCC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cccc(-c3cnn(C4CC4)c3)c2)CC1
InChIInChI=1S/C37H48N4O4/c1-25-19-31(15-18-35(25)44-2)28-11-9-27(10-12-28)23-40(36(42)29-13-7-26(8-14-29)21-38-37(43)45-3)34-6-4-5-30(20-34)32-22-39-41(24-32)33-16-17-33/h4-6,15,18-20,22,24,26-29,33H,7-14,16-17,21,23H2,1-3H3,(H,38,43)
InChIKeyALLIRLTVQLPXFP-UHFFFAOYSA-N
MW612.82 g/mol
LogP7.67
Rot. Bonds10

About methyl N-[[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]methyl]carbamate

methyl N-[[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]methyl]carbamate (PubChem CID 142430892) has the molecular formula C37H48N4O4 and a molecular weight of 612.82 g/mol. Its IUPAC name is methyl N-[[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]methyl]carbamate
PubChem CID142430892
Molecular FormulaC37H48N4O4
Molecular Weight612.82 g/mol
Exact Mass612.37
IUPAC Namemethyl N-[[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]methyl]carbamate
SMILESCOC(=O)NCC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cccc(-c3cnn(C4CC4)c3)c2)CC1
InChIInChI=1S/C37H48N4O4/c1-25-19-31(15-18-35(25)44-2)28-11-9-27(10-12-28)23-40(36(42)29-13-7-26(8-14-29)21-38-37(43)45-3)34-6-4-5-30(20-34)32-22-39-41(24-32)33-16-17-33/h4-6,15,18-20,22,24,26-29,33H,7-14,16-17,21,23H2,1-3H3,(H,38,43)
InChIKeyALLIRLTVQLPXFP-UHFFFAOYSA-N
XLogP7.67
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.82
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl N-[[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-(methyliminomethyl)cyclohexane-1-carboxamide
CID 166959761
[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(oxetan-3-yl)carbamate
CID 135330505
[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(4-oxopentyl)carbamate
CID 163682951
[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate
CID 135330510
N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 135330592
4-[amino(methylsulfonyl)methyl]-N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 135330385
[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-[(dimethylamino)methyl]azetidine-1-carboxylate
CID 135330176
1-[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]oxycarbonyl-3-methylazetidine-3-carboxylic acid
CID 151434096
4-[[3-(1-tert-butylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 146510645
[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]carbamoyl]cyclohexyl]carbamic acid
CID 135329935
2-[4-[[3-(1-tert-butylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]acetic acid
CID 146510680
4-acetamido-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide
CID 135330280

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]methyl]carbamate?
The IUPAC name of methyl N-[[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]methyl]carbamate (CID 142430892) is methyl N-[[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]methyl]carbamate is COC(=O)NCC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)c3)CC2)c2cccc(-c3cnn(C4CC4)c3)c2)CC1.
What is the InChIKey of methyl N-[[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]methyl]carbamate?
The InChIKey is ALLIRLTVQLPXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48N4O4/c1-25-19-31(15-18-35(25)44-2)28-11-9-27(10-12-28)23-40(36(42)29-13-7-26(8-14-29)21-38-37(43)45-3)34-6-4-5-30(20-34)32-22-39-41(24-32)33-16-17-33/h4-6,15,18-20,22,24,26-29,33H,7-14,16-17,21,23H2,1-3H3,(H,38,43).
What are the key properties of methyl N-[[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]methyl]carbamate?
methyl N-[[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]methyl]carbamate has a molecular weight of 612.82 g/mol, XLogP of 7.67, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 142430892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).