N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide

C26H29N3O4 — CID 42704104

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide
SMILESCOc1ccc(CCNC(=O)C(Cc2ccccc2)NC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C26H29N3O4/c1-32-23-14-13-20(18-24(23)33-2)15-16-27-25(30)22(17-19-9-5-3-6-10-19)29-26(31)28-21-11-7-4-8-12-21/h3-14,18,22H,15-17H2,1-2H3,(H,27,30)(H2,28,29,31)
InChIKeyNDMADMKNOCDHPW-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.80
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide (PubChem CID 42704104) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide
PubChem CID42704104
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide
SMILESCOc1ccc(CCNC(=O)C(Cc2ccccc2)NC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C26H29N3O4/c1-32-23-14-13-20(18-24(23)33-2)15-16-27-25(30)22(17-19-9-5-3-6-10-19)29-26(31)28-21-11-7-4-8-12-21/h3-14,18,22H,15-17H2,1-2H3,(H,27,30)(H2,28,29,31)
InChIKeyNDMADMKNOCDHPW-UHFFFAOYSA-N
XLogP3.80
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methoxyphenyl)carbamoylamino]-3-phenylpropanamide
CID 42704114
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-3-phenylpropanoic acid
CID 4679001
benzyl N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11733270
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538195
1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea
CID 48559749
3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide
CID 42702046
(2S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-N-hydroxy-N'-phenyloctanediamide
CID 174508609
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 42702037
2-(benzylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 55543538
4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoic acid
CID 108891296
1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 41327613
(2S)-2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119306736

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide (CID 42704104) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide is COc1ccc(CCNC(=O)C(Cc2ccccc2)NC(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide?
The InChIKey is NDMADMKNOCDHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-32-23-14-13-20(18-24(23)33-2)15-16-27-25(30)22(17-19-9-5-3-6-10-19)29-26(31)28-21-11-7-4-8-12-21/h3-14,18,22H,15-17H2,1-2H3,(H,27,30)(H2,28,29,31).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide has a molecular weight of 447.54 g/mol, XLogP of 3.80, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 42704104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).