2-(3-cyclopropylpropylamino)-N-phenylpropanamide

C15H22N2O — CID 115638960

IUPAC2-(3-cyclopropylpropylamino)-N-phenylpropanamide
SMILESCC(NCCCC1CC1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H22N2O/c1-12(16-11-5-6-13-9-10-13)15(18)17-14-7-3-2-4-8-14/h2-4,7-8,12-13,16H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyLSTBMYWDGQNEIF-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.79
Rot. Bonds7

About 2-(3-cyclopropylpropylamino)-N-phenylpropanamide

2-(3-cyclopropylpropylamino)-N-phenylpropanamide (PubChem CID 115638960) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3-cyclopropylpropylamino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(3-cyclopropylpropylamino)-N-phenylpropanamide
PubChem CID115638960
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(3-cyclopropylpropylamino)-N-phenylpropanamide
SMILESCC(NCCCC1CC1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H22N2O/c1-12(16-11-5-6-13-9-10-13)15(18)17-14-7-3-2-4-8-14/h2-4,7-8,12-13,16H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyLSTBMYWDGQNEIF-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(octylamino)-N-phenylpropanamide
CID 78914372
N-phenyl-2-(5,5,5-trifluoropentylamino)propanamide
CID 115496240
2-(pent-4-ynylamino)-N-phenylpropanamide
CID 103711267
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide
CID 115454689
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325114
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445
2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide
CID 81385584
1-(3-cyclohexylpropyl)-3-phenylurea
CID 19835717
2-(1-cyclohexylethylamino)-N-phenylpropanamide
CID 62407888

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpropylamino)-N-phenylpropanamide?
The IUPAC name of 2-(3-cyclopropylpropylamino)-N-phenylpropanamide (CID 115638960) is 2-(3-cyclopropylpropylamino)-N-phenylpropanamide.
What is the SMILES notation for 2-(3-cyclopropylpropylamino)-N-phenylpropanamide?
The canonical SMILES for 2-(3-cyclopropylpropylamino)-N-phenylpropanamide is CC(NCCCC1CC1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(3-cyclopropylpropylamino)-N-phenylpropanamide?
The InChIKey is LSTBMYWDGQNEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(16-11-5-6-13-9-10-13)15(18)17-14-7-3-2-4-8-14/h2-4,7-8,12-13,16H,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of 2-(3-cyclopropylpropylamino)-N-phenylpropanamide?
2-(3-cyclopropylpropylamino)-N-phenylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylpropylamino)-N-phenylpropanamide is sourced from PubChem (CID 115638960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).