3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide

C16H23N3O2 — CID 60867621

IUPAC3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)CCNC2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-2-9-18-16(21)12-4-3-5-14(11-12)19-15(20)8-10-17-13-6-7-13/h3-5,11,13,17H,2,6-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyPFYNBHFMNQHBDI-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.91
Rot. Bonds8

About 3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide

3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide (PubChem CID 60867621) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide
PubChem CID60867621
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)CCNC2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-2-9-18-16(21)12-4-3-5-14(11-12)19-15(20)8-10-17-13-6-7-13/h3-5,11,13,17H,2,6-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyPFYNBHFMNQHBDI-UHFFFAOYSA-N
XLogP1.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide
CID 123380111
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide
CID 119712067
3-(hexanoylamino)-N-(2-methoxyethyl)benzamide
CID 17219031
3-[[2-(hexadecylamino)acetyl]amino]-N-propylbenzamide
CID 54808714
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide
CID 64752912
N-cyclopropyl-3-(5-hydroxypentanoylamino)benzamide
CID 79199370
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide?
The IUPAC name of 3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide (CID 60867621) is 3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide.
What is the SMILES notation for 3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide?
The canonical SMILES for 3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)CCNC2CC2)c1.
What is the InChIKey of 3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide?
The InChIKey is PFYNBHFMNQHBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-9-18-16(21)12-4-3-5-14(11-12)19-15(20)8-10-17-13-6-7-13/h3-5,11,13,17H,2,6-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide?
3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide is sourced from PubChem (CID 60867621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).