ethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate

C24H31N3O5 — CID 56581674

IUPACethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)CCNC(=O)N(C)Cc1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C24H31N3O5/c1-4-32-23(29)16-21(19-11-8-12-20(15-19)31-3)26-22(28)13-14-25-24(30)27(2)17-18-9-6-5-7-10-18/h5-12,15,21H,4,13-14,16-17H2,1-3H3,(H,25,30)(H,26,28)
InChIKeyZCUPXNMUVCZLBA-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.04
Rot. Bonds11

About ethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate

ethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate (PubChem CID 56581674) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is ethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate
PubChem CID56581674
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Nameethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)CCNC(=O)N(C)Cc1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C24H31N3O5/c1-4-32-23(29)16-21(19-11-8-12-20(15-19)31-3)26-22(28)13-14-25-24(30)27(2)17-18-9-6-5-7-10-18/h5-12,15,21H,4,13-14,16-17H2,1-3H3,(H,25,30)(H,26,28)
InChIKeyZCUPXNMUVCZLBA-UHFFFAOYSA-N
XLogP3.04
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(4-chlorophenyl)propanoate
CID 56515220
N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119528512
ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
3-(3-methoxyphenyl)-3-(propanoylamino)propanoic acid
CID 112508887
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide
CID 56516603
ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55876805
ethyl N-[1-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-4-methylpentan-2-yl]carbamate
CID 56504562
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide
CID 56581932
ethyl 3-[(2-iodo-3-methylbenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55879116
ethyl 3-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55878732
ethyl 3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55878086

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate (CID 56581674) is ethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate is CCOC(=O)CC(NC(=O)CCNC(=O)N(C)Cc1ccccc1)c1cccc(OC)c1.
What is the InChIKey of ethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate?
The InChIKey is ZCUPXNMUVCZLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-4-32-23(29)16-21(19-11-8-12-20(15-19)31-3)26-22(28)13-14-25-24(30)27(2)17-18-9-6-5-7-10-18/h5-12,15,21H,4,13-14,16-17H2,1-3H3,(H,25,30)(H,26,28).
What are the key properties of ethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate?
ethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate has a molecular weight of 441.53 g/mol, XLogP of 3.04, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate is sourced from PubChem (CID 56581674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).