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

C15H24N2O — CID 54905871

IUPAC4-amino-N-pentyl-N-propan-2-ylbenzamide
SMILESCCCCCN(C(=O)c1ccc(N)cc1)C(C)C
InChIInChI=1S/C15H24N2O/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
InChIKeyXJBHYLNENDEHSC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.31
Rot. Bonds6

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

4-amino-N-pentyl-N-propan-2-ylbenzamide (PubChem CID 54905871) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-amino-N-pentyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-amino-N-pentyl-N-propan-2-ylbenzamide
PubChem CID54905871
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-amino-N-pentyl-N-propan-2-ylbenzamide
SMILESCCCCCN(C(=O)c1ccc(N)cc1)C(C)C
InChIInChI=1S/C15H24N2O/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
InChIKeyXJBHYLNENDEHSC-UHFFFAOYSA-N
XLogP3.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.31
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;hydrochloride
CID 119723192
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-butyl-N-propylbenzamide
CID 127119640

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pentyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-amino-N-pentyl-N-propan-2-ylbenzamide (CID 54905871) is 4-amino-N-pentyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-amino-N-pentyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-amino-N-pentyl-N-propan-2-ylbenzamide is CCCCCN(C(=O)c1ccc(N)cc1)C(C)C.
What is the InChIKey of 4-amino-N-pentyl-N-propan-2-ylbenzamide?
The InChIKey is XJBHYLNENDEHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/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.
What are the key properties of 4-amino-N-pentyl-N-propan-2-ylbenzamide?
4-amino-N-pentyl-N-propan-2-ylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 3.31, 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 is sourced from PubChem (CID 54905871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).