N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide

C16H25N3O2 — CID 119780816

IUPACN-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(Cc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C16H25N3O2/c1-17-11-7-10-15(20)18-14(16(21)19(2)3)12-13-8-5-4-6-9-13/h4-6,8-9,14,17H,7,10-12H2,1-3H3,(H,18,20)
InChIKeyZMFYUEOBKDFNGQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.80
Rot. Bonds8

About N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide

N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide (PubChem CID 119780816) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide
PubChem CID119780816
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(Cc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C16H25N3O2/c1-17-11-7-10-15(20)18-14(16(21)19(2)3)12-13-8-5-4-6-9-13/h4-6,8-9,14,17H,7,10-12H2,1-3H3,(H,18,20)
InChIKeyZMFYUEOBKDFNGQ-UHFFFAOYSA-N
XLogP0.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 119805944
4-(methylamino)-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]butanamide;hydrochloride
CID 119805943
N-(1,2-diphenylethyl)-4-(methylamino)butanamide
CID 119689852
4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide
CID 119766314
4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
CID 119766313
2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride
CID 120610630
(2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide
CID 95617732
(2R)-3-phenyl-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid
CID 104902040
(2S)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 22869856
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N,N-dimethyl-3-phenylpropanamide
CID 119047530
6-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexanoic acid
CID 163407486

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide (CID 119780816) is N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide is CNCCCC(=O)NC(Cc1ccccc1)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide?
The InChIKey is ZMFYUEOBKDFNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-17-11-7-10-15(20)18-14(16(21)19(2)3)12-13-8-5-4-6-9-13/h4-6,8-9,14,17H,7,10-12H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide?
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide has a molecular weight of 291.39 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide is sourced from PubChem (CID 119780816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).