3-phenyl-3-(propylamino)propanamide

C12H18N2O — CID 65235689

IUPAC3-phenyl-3-(propylamino)propanamide
SMILESCCCNC(CC(N)=O)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-2-8-14-11(9-12(13)15)10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H2,13,15)
InChIKeySDFLMRQLOHQZNB-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.60
Rot. Bonds6

About 3-phenyl-3-(propylamino)propanamide

3-phenyl-3-(propylamino)propanamide (PubChem CID 65235689) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-phenyl-3-(propylamino)propanamide.

Molecular Properties

Compound Name3-phenyl-3-(propylamino)propanamide
PubChem CID65235689
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-phenyl-3-(propylamino)propanamide
SMILESCCCNC(CC(N)=O)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-2-8-14-11(9-12(13)15)10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H2,13,15)
InChIKeySDFLMRQLOHQZNB-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-phenyl-3-(propylamino)propanoic acid
CID 66918405
3-(4-fluorophenyl)-3-(propylamino)propanamide
CID 65235429
3-(3-methylphenyl)-3-(propylamino)propanamide
CID 65235426
3-(4-tert-butylphenyl)-3-(propylamino)propanamide
CID 65236000
3-(3,4-dimethylphenyl)-3-(propylamino)propanamide
CID 65235384
N-(3-amino-3-oxo-1-phenylpropyl)butanamide
CID 44600497
3-[(4-methylphenyl)methylamino]-3-phenylpropanamide
CID 22386201
5-(1-phenylpropylamino)pentanamide
CID 103529788
3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide
CID 114938790
3-(2-aminoethylamino)-3-phenylpropanoic acid
CID 145335697
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(propylamino)propanamide?
The IUPAC name of 3-phenyl-3-(propylamino)propanamide (CID 65235689) is 3-phenyl-3-(propylamino)propanamide.
What is the SMILES notation for 3-phenyl-3-(propylamino)propanamide?
The canonical SMILES for 3-phenyl-3-(propylamino)propanamide is CCCNC(CC(N)=O)c1ccccc1.
What is the InChIKey of 3-phenyl-3-(propylamino)propanamide?
The InChIKey is SDFLMRQLOHQZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-8-14-11(9-12(13)15)10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H2,13,15).
What are the key properties of 3-phenyl-3-(propylamino)propanamide?
3-phenyl-3-(propylamino)propanamide has a molecular weight of 206.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(propylamino)propanamide is sourced from PubChem (CID 65235689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).