[2-[[cyclohexylmethyl-(2,6-dimethoxy-4-methylphenyl)carbamoyl]-methylcarbamoyl]indol-1-yl] acetate

C29H35N3O6 — CID 67667998

IUPAC[2-[[cyclohexylmethyl-(2,6-dimethoxy-4-methylphenyl)carbamoyl]-methylcarbamoyl]indol-1-yl] acetate
SMILESCOc1cc(C)cc(OC)c1N(CC1CCCCC1)C(=O)N(C)C(=O)c1cc2ccccc2n1OC(C)=O
InChIInChI=1S/C29H35N3O6/c1-19-15-25(36-4)27(26(16-19)37-5)31(18-21-11-7-6-8-12-21)29(35)30(3)28(34)24-17-22-13-9-10-14-23(22)32(24)38-20(2)33/h9-10,13-17,21H,6-8,11-12,18H2,1-5H3
InChIKeyIPCWKOUQZDHAFL-UHFFFAOYSA-N
MW521.61 g/mol
LogP5.22
Rot. Bonds7

About [2-[[cyclohexylmethyl-(2,6-dimethoxy-4-methylphenyl)carbamoyl]-methylcarbamoyl]indol-1-yl] acetate

[2-[[cyclohexylmethyl-(2,6-dimethoxy-4-methylphenyl)carbamoyl]-methylcarbamoyl]indol-1-yl] acetate (PubChem CID 67667998) has the molecular formula C29H35N3O6 and a molecular weight of 521.61 g/mol. Its IUPAC name is [2-[[cyclohexylmethyl-(2,6-dimethoxy-4-methylphenyl)carbamoyl]-methylcarbamoyl]indol-1-yl] acetate.

Molecular Properties

Compound Name[2-[[cyclohexylmethyl-(2,6-dimethoxy-4-methylphenyl)carbamoyl]-methylcarbamoyl]indol-1-yl] acetate
PubChem CID67667998
Molecular FormulaC29H35N3O6
Molecular Weight521.61 g/mol
Exact Mass521.25
IUPAC Name[2-[[cyclohexylmethyl-(2,6-dimethoxy-4-methylphenyl)carbamoyl]-methylcarbamoyl]indol-1-yl] acetate
SMILESCOc1cc(C)cc(OC)c1N(CC1CCCCC1)C(=O)N(C)C(=O)c1cc2ccccc2n1OC(C)=O
InChIInChI=1S/C29H35N3O6/c1-19-15-25(36-4)27(26(16-19)37-5)31(18-21-11-7-6-8-12-21)29(35)30(3)28(34)24-17-22-13-9-10-14-23(22)32(24)38-20(2)33/h9-10,13-17,21H,6-8,11-12,18H2,1-5H3
InChIKeyIPCWKOUQZDHAFL-UHFFFAOYSA-N
XLogP5.22
TPSA90.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.61
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[[cyclohexylmethyl-(2,6-dimethoxy-4-methylphenyl)carbamoyl]-methylcarbamoyl]indol-1-yl] acetate with MolForge

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Related Compounds

3-[N-(cyclohexylmethyl)-2,6-dimethoxy-4-methylanilino]-2-methyl-2-[2-(methylcarbamoyl)indol-1-yl]-3-oxopropanoic acid
CID 67669195
2-[2-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]indol-1-yl]acetic acid
CID 67754760
sodium;1-methoxy-2,4,5-trimethylbenzene;2-(2-methylindol-1-yl)acetate;molecular hydrogen;propylcyclohexane
CID 158611659
N-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide
CID 44588240
1-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 47075746
2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106682017
N-(cyclopropylmethyl)-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide;N,N-diethylethanamine
CID 159176122
N-cyclopentyl-3-methoxy-N-methylnaphthalene-2-carboxamide
CID 30394493
2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid
CID 81309673
1-(cyclohexylmethyl)-3-(3-indol-1-ylpropyl)-1-methylurea
CID 112831559
N-(cyclopropylmethyl)-2-(3-fluoro-5-methylphenyl)-N-(4-methoxyphenyl)acetamide
CID 166372254
methyl 1-methylsulfonylindole-2-carboxylate
CID 1487719

Frequently Asked Questions

What is the IUPAC name of [2-[[cyclohexylmethyl-(2,6-dimethoxy-4-methylphenyl)carbamoyl]-methylcarbamoyl]indol-1-yl] acetate?
The IUPAC name of [2-[[cyclohexylmethyl-(2,6-dimethoxy-4-methylphenyl)carbamoyl]-methylcarbamoyl]indol-1-yl] acetate (CID 67667998) is [2-[[cyclohexylmethyl-(2,6-dimethoxy-4-methylphenyl)carbamoyl]-methylcarbamoyl]indol-1-yl] acetate.
What is the SMILES notation for [2-[[cyclohexylmethyl-(2,6-dimethoxy-4-methylphenyl)carbamoyl]-methylcarbamoyl]indol-1-yl] acetate?
The canonical SMILES for [2-[[cyclohexylmethyl-(2,6-dimethoxy-4-methylphenyl)carbamoyl]-methylcarbamoyl]indol-1-yl] acetate is COc1cc(C)cc(OC)c1N(CC1CCCCC1)C(=O)N(C)C(=O)c1cc2ccccc2n1OC(C)=O.
What is the InChIKey of [2-[[cyclohexylmethyl-(2,6-dimethoxy-4-methylphenyl)carbamoyl]-methylcarbamoyl]indol-1-yl] acetate?
The InChIKey is IPCWKOUQZDHAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O6/c1-19-15-25(36-4)27(26(16-19)37-5)31(18-21-11-7-6-8-12-21)29(35)30(3)28(34)24-17-22-13-9-10-14-23(22)32(24)38-20(2)33/h9-10,13-17,21H,6-8,11-12,18H2,1-5H3.
What are the key properties of [2-[[cyclohexylmethyl-(2,6-dimethoxy-4-methylphenyl)carbamoyl]-methylcarbamoyl]indol-1-yl] acetate?
[2-[[cyclohexylmethyl-(2,6-dimethoxy-4-methylphenyl)carbamoyl]-methylcarbamoyl]indol-1-yl] acetate has a molecular weight of 521.61 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[cyclohexylmethyl-(2,6-dimethoxy-4-methylphenyl)carbamoyl]-methylcarbamoyl]indol-1-yl] acetate is sourced from PubChem (CID 67667998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).