4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride

C16H27ClN2O — CID 119816015

IUPAC4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride
SMILESCCC(CC)N(CC(C)C)C(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-15(6-2)18(11-12(3)4)16(19)13-7-9-14(17)10-8-13;/h7-10,12,15H,5-6,11,17H2,1-4H3;1H
InChIKeyGVMITYPRVPPFKR-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.98
Rot. Bonds6

About 4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride

4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride (PubChem CID 119816015) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride
PubChem CID119816015
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride
SMILESCCC(CC)N(CC(C)C)C(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-15(6-2)18(11-12(3)4)16(19)13-7-9-14(17)10-8-13;/h7-10,12,15H,5-6,11,17H2,1-4H3;1H
InChIKeyGVMITYPRVPPFKR-UHFFFAOYSA-N
XLogP3.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.98
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-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79490314
3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79483264
4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119732301
2-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79501668
6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79484236
4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride
CID 119672598
4-amino-N-butan-2-yl-N-methylbenzamide
CID 43272431
4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119723192
2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79483241
2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79490268
4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871
5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79693520

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride (CID 119816015) is 4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride is CCC(CC)N(CC(C)C)C(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of 4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride?
The InChIKey is GVMITYPRVPPFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-5-15(6-2)18(11-12(3)4)16(19)13-7-9-14(17)10-8-13;/h7-10,12,15H,5-6,11,17H2,1-4H3;1H.
What are the key properties of 4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride?
4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119816015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).