4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride

C15H25ClN2O — CID 119766313

IUPAC4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
SMILESCCC(Cc1ccccc1)NC(=O)CCCNC.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-3-14(12-13-8-5-4-6-9-13)17-15(18)10-7-11-16-2;/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3,(H,17,18);1H
InChIKeyQFOQPXRNHIQOAG-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.55
Rot. Bonds8

About 4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride

4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride (PubChem CID 119766313) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
PubChem CID119766313
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
SMILESCCC(Cc1ccccc1)NC(=O)CCCNC.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-3-14(12-13-8-5-4-6-9-13)17-15(18)10-7-11-16-2;/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3,(H,17,18);1H
InChIKeyQFOQPXRNHIQOAG-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.55
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

4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide
CID 119766314
2-(methylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766326
N-(1,2-diphenylethyl)-4-(methylamino)butanamide
CID 119689852
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide
CID 119780816
4-(methylamino)-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]butanamide;hydrochloride
CID 119805943
N-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 63261276
N-(1-phenylbutan-2-yl)acetamide
CID 2826983
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
CID 15667273
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
3-(octanoylamino)-4-phenylbutanoic acid
CID 67920843

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride (CID 119766313) is 4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride is CCC(Cc1ccccc1)NC(=O)CCCNC.Cl.
What is the InChIKey of 4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride?
The InChIKey is QFOQPXRNHIQOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-3-14(12-13-8-5-4-6-9-13)17-15(18)10-7-11-16-2;/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3,(H,17,18);1H.
What are the key properties of 4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride?
4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 119766313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).