propan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]carbamate

C25H34N2O4 — CID 141411524

IUPACpropan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]carbamate
SMILESCOc1ccc(CCNC(=O)[C@@H](NC(=O)OC(C)C)[C@H](C)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C25H34N2O4/c1-17(2)31-25(29)27-23(19(4)16-21-8-6-18(3)7-9-21)24(28)26-15-14-20-10-12-22(30-5)13-11-20/h6-13,17,19,23H,14-16H2,1-5H3,(H,26,28)(H,27,29)/t19-,23+/m1/s1
InChIKeyUCTYRGTZWAEXCJ-XXBNENTESA-N
MW426.56 g/mol
LogP4.04
Rot. Bonds10

About propan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]carbamate

propan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]carbamate (PubChem CID 141411524) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is propan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]carbamate
PubChem CID141411524
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Namepropan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]carbamate
SMILESCOc1ccc(CCNC(=O)[C@@H](NC(=O)OC(C)C)[C@H](C)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C25H34N2O4/c1-17(2)31-25(29)27-23(19(4)16-21-8-6-18(3)7-9-21)24(28)26-15-14-20-10-12-22(30-5)13-11-20/h6-13,17,19,23H,14-16H2,1-5H3,(H,26,28)(H,27,29)/t19-,23+/m1/s1
InChIKeyUCTYRGTZWAEXCJ-XXBNENTESA-N
XLogP4.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze propan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]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

propan-2-yl N-[(2S,3R)-4-(4-fluorophenyl)-3-methyl-1-[2-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate
CID 141411552
propan-2-yl N-[(2S,3R)-4-(3,4-dimethoxyphenyl)-3-methyl-1-[2-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate
CID 141411513
propan-2-yl N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 22856211
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951517
(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 24538272
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
4-methoxy-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157879
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 134060022
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
(2S)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
CID 22690831
3-amino-4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 18330162

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]carbamate (CID 141411524) is propan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]carbamate is COc1ccc(CCNC(=O)[C@@H](NC(=O)OC(C)C)[C@H](C)Cc2ccc(C)cc2)cc1.
What is the InChIKey of propan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]carbamate?
The InChIKey is UCTYRGTZWAEXCJ-XXBNENTESA-N. The full InChI is InChI=1S/C25H34N2O4/c1-17(2)31-25(29)27-23(19(4)16-21-8-6-18(3)7-9-21)24(28)26-15-14-20-10-12-22(30-5)13-11-20/h6-13,17,19,23H,14-16H2,1-5H3,(H,26,28)(H,27,29)/t19-,23+/m1/s1.
What are the key properties of propan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]carbamate?
propan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]carbamate has a molecular weight of 426.56 g/mol, XLogP of 4.04, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2S,3R)-1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-4-(4-methylphenyl)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 141411524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).