N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride

C14H23ClN2O — CID 120569223

IUPACN-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCC(C)(C)C.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-10-5-6-11(15)9-12(10)16-13(17)7-8-14(2,3)4;/h5-6,9H,7-8,15H2,1-4H3,(H,16,17);1H
InChIKeyRWGAAJMZQVJZQN-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.76
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride

N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride (PubChem CID 120569223) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
PubChem CID120569223
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCC(C)(C)C.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-10-5-6-11(15)9-12(10)16-13(17)7-8-14(2,3)4;/h5-6,9H,7-8,15H2,1-4H3,(H,16,17);1H
InChIKeyRWGAAJMZQVJZQN-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.76
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-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide
CID 114212732
N-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 120569254
N-(5-amino-2-methylphenyl)-4-(3,3,3-trifluoropropoxy)butanamide
CID 82961312
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 120568294
3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide
CID 106914620
N'-(5-amino-2-methylphenyl)-N-propylpentanediamide
CID 120568724
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
CID 120568118
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
CID 120569210
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride (CID 120569223) is N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride is Cc1ccc(N)cc1NC(=O)CCC(C)(C)C.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride?
The InChIKey is RWGAAJMZQVJZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-10-5-6-11(15)9-12(10)16-13(17)7-8-14(2,3)4;/h5-6,9H,7-8,15H2,1-4H3,(H,16,17);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride?
N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 3.76, 3 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)-4,4-dimethylpentanamide;hydrochloride is sourced from PubChem (CID 120569223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).