4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride

C16H27ClN2O — CID 120563414

IUPAC4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride
SMILESCCC(Cc1ccccc1)N(C)C(=O)CCC(C)N.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-15(12-14-8-6-5-7-9-14)18(3)16(19)11-10-13(2)17;/h5-9,13,15H,4,10-12,17H2,1-3H3;1H
InChIKeyIEQJYWQMDKHMDM-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.02
Rot. Bonds7

About 4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride

4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride (PubChem CID 120563414) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride
PubChem CID120563414
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride
SMILESCCC(Cc1ccccc1)N(C)C(=O)CCC(C)N.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-15(12-14-8-6-5-7-9-14)18(3)16(19)11-10-13(2)17;/h5-9,13,15H,4,10-12,17H2,1-3H3;1H
InChIKeyIEQJYWQMDKHMDM-UHFFFAOYSA-N
XLogP3.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride
CID 119952076
3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide
CID 120611344
4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide
CID 120593388
4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride
CID 120562633
3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea
CID 71994481
N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584
4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride
CID 120562616
4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride
CID 120565080
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-N-methyl-2-phenylacetamide
CID 2106709
2-amino-N-ethyl-N-(1-phenylbutan-2-yl)pentanamide
CID 119337188
4-amino-N-phenylmethoxypentanamide
CID 64974762
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride (CID 120563414) is 4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride is CCC(Cc1ccccc1)N(C)C(=O)CCC(C)N.Cl.
What is the InChIKey of 4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride?
The InChIKey is IEQJYWQMDKHMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-4-15(12-14-8-6-5-7-9-14)18(3)16(19)11-10-13(2)17;/h5-9,13,15H,4,10-12,17H2,1-3H3;1H.
What are the key properties of 4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride?
4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride is sourced from PubChem (CID 120563414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).