N-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride

C16H27ClN2O — CID 120568529

IUPACN-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride
SMILESCCCCC(CC)CC(=O)Nc1cc(N)ccc1C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-6-7-13(5-2)10-16(19)18-15-11-14(17)9-8-12(15)3;/h8-9,11,13H,4-7,10,17H2,1-3H3,(H,18,19);1H
InChIKeyUMKDWHHEXHUGLE-UHFFFAOYSA-N
MW298.86 g/mol
LogP4.54
Rot. Bonds7

About N-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride

N-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride (PubChem CID 120568529) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride
PubChem CID120568529
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride
SMILESCCCCC(CC)CC(=O)Nc1cc(N)ccc1C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-6-7-13(5-2)10-16(19)18-15-11-14(17)9-8-12(15)3;/h8-9,11,13H,4-7,10,17H2,1-3H3,(H,18,19);1H
InChIKeyUMKDWHHEXHUGLE-UHFFFAOYSA-N
XLogP4.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
CID 120568568
N-(5-amino-2-methylphenyl)-2-butylsulfanylacetamide
CID 43615751
N'-(5-amino-2-methylphenyl)-N-propylpentanediamide
CID 120568724
N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide
CID 43294488
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
CID 120569210
N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide
CID 103601419
(2R)-4-(5-chloro-2-methylanilino)-2-[[(2S)-2-ethylhexyl]amino]-4-oxobutanoic acid
CID 7591787
(2S)-4-(5-chloro-2-methylanilino)-2-[[(2R)-2-ethylhexyl]amino]-4-oxobutanoic acid
CID 7591781
(2S)-4-(5-chloro-2-methylanilino)-2-[[(2S)-2-ethylhexyl]amino]-4-oxobutanoic acid
CID 7591783
3-(aminomethyl)-N-(2,5-dimethylphenyl)hexanamide
CID 112516019
1-(4-amino-3-methylphenyl)-3-ethylheptan-1-one
CID 116553874
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride (CID 120568529) is N-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride is CCCCC(CC)CC(=O)Nc1cc(N)ccc1C.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride?
The InChIKey is UMKDWHHEXHUGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-4-6-7-13(5-2)10-16(19)18-15-11-14(17)9-8-12(15)3;/h8-9,11,13H,4-7,10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride?
N-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride is sourced from PubChem (CID 120568529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).