2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide

C26H29N3O4 — CID 42696932

IUPAC2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide
SMILESCOc1ccc(NC(=O)NCC(=O)NCCC(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C26H29N3O4/c1-32-21-13-14-23(24(17-21)33-2)29-26(31)28-18-25(30)27-16-15-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,22H,15-16,18H2,1-2H3,(H,27,30)(H2,28,29,31)
InChIKeyKWQHNECJYAUYSI-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.16
Rot. Bonds10

About 2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide

2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide (PubChem CID 42696932) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide
PubChem CID42696932
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide
SMILESCOc1ccc(NC(=O)NCC(=O)NCCC(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C26H29N3O4/c1-32-21-13-14-23(24(17-21)33-2)29-26(31)28-18-25(30)27-16-15-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,22H,15-16,18H2,1-2H3,(H,27,30)(H2,28,29,31)
InChIKeyKWQHNECJYAUYSI-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 90499727
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 90499706
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpentanamide
CID 7697928
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
N-(3,3-diphenylpropyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 16658889
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
2-[(2-methoxyphenyl)carbamoylamino]-N-propylacetamide
CID 27868610
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide
CID 46615768
1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113214996
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide (CID 42696932) is 2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide is COc1ccc(NC(=O)NCC(=O)NCCC(c2ccccc2)c2ccccc2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide?
The InChIKey is KWQHNECJYAUYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-32-21-13-14-23(24(17-21)33-2)29-26(31)28-18-25(30)27-16-15-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,22H,15-16,18H2,1-2H3,(H,27,30)(H2,28,29,31).
What are the key properties of 2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide?
2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide has a molecular weight of 447.54 g/mol, XLogP of 4.16, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide is sourced from PubChem (CID 42696932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).