3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide

C15H21N3O3 — CID 61066520

IUPAC3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C15H21N3O3/c1-3-8-16-14(20)7-9-17-15(21)18-13-6-4-5-12(10-13)11(2)19/h4-6,10H,3,7-9H2,1-2H3,(H,16,20)(H2,17,18,21)
InChIKeyTYPXCVNYUUIUFR-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.93
Rot. Bonds7

About 3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide

3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide (PubChem CID 61066520) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide
PubChem CID61066520
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C15H21N3O3/c1-3-8-16-14(20)7-9-17-15(21)18-13-6-4-5-12(10-13)11(2)19/h4-6,10H,3,7-9H2,1-2H3,(H,16,20)(H2,17,18,21)
InChIKeyTYPXCVNYUUIUFR-UHFFFAOYSA-N
XLogP1.93
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide
CID 115581776
1-(3-acetylphenyl)-3-propylthiourea
CID 8626664
N,N-diethyl-3-(propylcarbamoylamino)benzamide
CID 47103496
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955
1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea
CID 107302725
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954
N-(3-acetylphenyl)-3-(pentylamino)propanamide
CID 109032280
N-(3-acetylphenyl)propanamide
CID 903063
3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide
CID 113410713
3-(pentylcarbamoylamino)benzamide
CID 47033052
1-(3-bromophenyl)-3-(3-oxobutyl)urea
CID 108895170

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide?
The IUPAC name of 3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide (CID 61066520) is 3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide is CCCNC(=O)CCNC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of 3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide?
The InChIKey is TYPXCVNYUUIUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-8-16-14(20)7-9-17-15(21)18-13-6-4-5-12(10-13)11(2)19/h4-6,10H,3,7-9H2,1-2H3,(H,16,20)(H2,17,18,21).
What are the key properties of 3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide?
3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide has a molecular weight of 291.35 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide is sourced from PubChem (CID 61066520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).