3-(1-phenylpropan-2-ylamino)-N-propylpropanamide

C15H24N2O — CID 55148984

IUPAC3-(1-phenylpropan-2-ylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNC(C)Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-10-17-15(18)9-11-16-13(2)12-14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3,(H,17,18)
InChIKeyJZFQVQKTBBHFSM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.12
Rot. Bonds8

About 3-(1-phenylpropan-2-ylamino)-N-propylpropanamide

3-(1-phenylpropan-2-ylamino)-N-propylpropanamide (PubChem CID 55148984) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(1-phenylpropan-2-ylamino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(1-phenylpropan-2-ylamino)-N-propylpropanamide
PubChem CID55148984
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(1-phenylpropan-2-ylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNC(C)Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-10-17-15(18)9-11-16-13(2)12-14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3,(H,17,18)
InChIKeyJZFQVQKTBBHFSM-UHFFFAOYSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide
CID 78985493
N,N-dimethyl-3-(1-phenylpropan-2-ylamino)propanamide
CID 63011400
2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid
CID 119233732
5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 103250470
acetic acid;N-ethyl-1-phenylpropan-2-amine
CID 22214099
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
(2R)-2-benzyl-3-methyl-N-propylbutanamide
CID 143577799
N-(1-phenylpropan-2-yl)hexan-1-amine
CID 10998534
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
CID 115711920
3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide
CID 103910437
N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide
CID 60551468
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpropan-2-ylamino)-N-propylpropanamide?
The IUPAC name of 3-(1-phenylpropan-2-ylamino)-N-propylpropanamide (CID 55148984) is 3-(1-phenylpropan-2-ylamino)-N-propylpropanamide.
What is the SMILES notation for 3-(1-phenylpropan-2-ylamino)-N-propylpropanamide?
The canonical SMILES for 3-(1-phenylpropan-2-ylamino)-N-propylpropanamide is CCCNC(=O)CCNC(C)Cc1ccccc1.
What is the InChIKey of 3-(1-phenylpropan-2-ylamino)-N-propylpropanamide?
The InChIKey is JZFQVQKTBBHFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-10-17-15(18)9-11-16-13(2)12-14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3,(H,17,18).
What are the key properties of 3-(1-phenylpropan-2-ylamino)-N-propylpropanamide?
3-(1-phenylpropan-2-ylamino)-N-propylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpropan-2-ylamino)-N-propylpropanamide is sourced from PubChem (CID 55148984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).