4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride

C15H25ClN2O — CID 119723192

IUPAC4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
SMILESCCCCCN(C(=O)c1ccc(N)cc1)C(C)C.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-4-5-6-11-17(12(2)3)15(18)13-7-9-14(16)10-8-13;/h7-10,12H,4-6,11,16H2,1-3H3;1H
InChIKeyIKYJQLJCDSDWOU-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.73
Rot. Bonds6

About 4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride

4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 119723192) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
PubChem CID119723192
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
SMILESCCCCCN(C(=O)c1ccc(N)cc1)C(C)C.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-4-5-6-11-17(12(2)3)15(18)13-7-9-14(16)10-8-13;/h7-10,12H,4-6,11,16H2,1-3H3;1H
InChIKeyIKYJQLJCDSDWOU-UHFFFAOYSA-N
XLogP3.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871
4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119289264
4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 54905965
4-amino-N,N-didodecylbenzamide
CID 5077826
3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide
CID 104502295
4-carbamothioyl-N-propan-2-yl-N-propylbenzamide
CID 43269726
6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 60746433
3-chloro-4-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 55001893
2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 65349489
4-carbamothioyl-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54999256
4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040169
4-amino-N-[3-(diethylamino)propyl]-N-(1-phenylethyl)benzamide;hydrochloride
CID 138396549

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride (CID 119723192) is 4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride is CCCCCN(C(=O)c1ccc(N)cc1)C(C)C.Cl.
What is the InChIKey of 4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is IKYJQLJCDSDWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-4-5-6-11-17(12(2)3)15(18)13-7-9-14(16)10-8-13;/h7-10,12H,4-6,11,16H2,1-3H3;1H.
What are the key properties of 4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride?
4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 119723192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).