4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride

C17H29ClN2O — CID 119672598

IUPAC4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-13(2)9-11-19(12-10-14(3)4)17(20)15-5-7-16(18)8-6-15;/h5-8,13-14H,9-12,18H2,1-4H3;1H
InChIKeyRESPWZQWFDTCQT-UHFFFAOYSA-N
MW312.89 g/mol
LogP4.22
Rot. Bonds7

About 4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride

4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride (PubChem CID 119672598) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is 4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride
PubChem CID119672598
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC Name4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-13(2)9-11-19(12-10-14(3)4)17(20)15-5-7-16(18)8-6-15;/h5-8,13-14H,9-12,18H2,1-4H3;1H
InChIKeyRESPWZQWFDTCQT-UHFFFAOYSA-N
XLogP4.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119732301
3-amino-N,N-bis(3-methylbutyl)benzamide
CID 60939254
3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide
CID 60939470
5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide
CID 61106628
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
4-amino-N-butyl-N-propylbenzamide
CID 127119640
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
4-amino-N,N-didodecylbenzamide
CID 5077826
4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride
CID 119816015
N,N-bis(3-methylbutyl)furan-3-carboxamide
CID 78833315
2-methyl-3-[(4-methylbenzoyl)-(3-methylbutyl)amino]propanoic acid
CID 82324747
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)pyridine-4-carboxamide
CID 82104252

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride?
The IUPAC name of 4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride (CID 119672598) is 4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride.
What is the SMILES notation for 4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride?
The canonical SMILES for 4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride is CC(C)CCN(CCC(C)C)C(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of 4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride?
The InChIKey is RESPWZQWFDTCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-13(2)9-11-19(12-10-14(3)4)17(20)15-5-7-16(18)8-6-15;/h5-8,13-14H,9-12,18H2,1-4H3;1H.
What are the key properties of 4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride?
4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride is sourced from PubChem (CID 119672598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).