3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide

C26H37N3O4 — CID 56516603

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide
SMILESCCOc1ccc(C(NC(=O)CCNC(=O)N(C)Cc2ccccc2)C(C)C)cc1OCC
InChIInChI=1S/C26H37N3O4/c1-6-32-22-14-13-21(17-23(22)33-7-2)25(19(3)4)28-24(30)15-16-27-26(31)29(5)18-20-11-9-8-10-12-20/h8-14,17,19,25H,6-7,15-16,18H2,1-5H3,(H,27,31)(H,28,30)
InChIKeyAHQHRZLAYOSYND-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.53
Rot. Bonds12

About 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide (PubChem CID 56516603) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide
PubChem CID56516603
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide
SMILESCCOc1ccc(C(NC(=O)CCNC(=O)N(C)Cc2ccccc2)C(C)C)cc1OCC
InChIInChI=1S/C26H37N3O4/c1-6-32-22-14-13-21(17-23(22)33-7-2)25(19(3)4)28-24(30)15-16-27-26(31)29(5)18-20-11-9-8-10-12-20/h8-14,17,19,25H,6-7,15-16,18H2,1-5H3,(H,27,31)(H,28,30)
InChIKeyAHQHRZLAYOSYND-UHFFFAOYSA-N
XLogP4.53
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide
CID 56581932
3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide
CID 120608398
1-benzyl-3-[(2-ethoxyphenoxy)methyl]-1-methylurea
CID 108877231
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 51262699
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 46649897
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119528512
ethyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(3-methoxyphenyl)propanoate
CID 56581674
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propanamide
CID 56513804
ethyl N-[1-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-4-methylpentan-2-yl]carbamate
CID 56504562
methyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(4-chlorophenyl)propanoate
CID 56515220
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide
CID 46649898

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide (CID 56516603) is 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide is CCOc1ccc(C(NC(=O)CCNC(=O)N(C)Cc2ccccc2)C(C)C)cc1OCC.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide?
The InChIKey is AHQHRZLAYOSYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4/c1-6-32-22-14-13-21(17-23(22)33-7-2)25(19(3)4)28-24(30)15-16-27-26(31)29(5)18-20-11-9-8-10-12-20/h8-14,17,19,25H,6-7,15-16,18H2,1-5H3,(H,27,31)(H,28,30).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide has a molecular weight of 455.60 g/mol, XLogP of 4.53, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide is sourced from PubChem (CID 56516603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).