4-(2-methylpropanimidoyl)-N-pentylbenzamide

C16H24N2O — CID 143092439

IUPAC4-(2-methylpropanimidoyl)-N-pentylbenzamide
SMILES[H]/N=C(/c1ccc(C(=O)NCCCCC)cc1)C(C)C
InChIInChI=1S/C16H24N2O/c1-4-5-6-11-18-16(19)14-9-7-13(8-10-14)15(17)12(2)3/h7-10,12,17H,4-6,11H2,1-3H3,(H,18,19)/b17-15+
InChIKeyNOAPTFKFORABIB-BMRADRMJSA-N
MW260.38 g/mol
LogP3.63
Rot. Bonds7

About 4-(2-methylpropanimidoyl)-N-pentylbenzamide

4-(2-methylpropanimidoyl)-N-pentylbenzamide (PubChem CID 143092439) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(2-methylpropanimidoyl)-N-pentylbenzamide.

Molecular Properties

Compound Name4-(2-methylpropanimidoyl)-N-pentylbenzamide
PubChem CID143092439
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-(2-methylpropanimidoyl)-N-pentylbenzamide
SMILES[H]/N=C(/c1ccc(C(=O)NCCCCC)cc1)C(C)C
InChIInChI=1S/C16H24N2O/c1-4-5-6-11-18-16(19)14-9-7-13(8-10-14)15(17)12(2)3/h7-10,12,17H,4-6,11H2,1-3H3,(H,18,19)/b17-15+
InChIKeyNOAPTFKFORABIB-BMRADRMJSA-N
XLogP3.63
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide
CID 109044091
CID 131885807
CID 131885807
N-decyl-4-hydroxybenzamide
CID 15277871
4-bromo-N-pentylbenzamide
CID 4167913
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-decyl-4-sulfanylbenzamide
CID 107032455
N-pentyl-4-propylbenzamide
CID 70894308
4-bromo-N-hexadecylbenzamide
CID 54791037
[4-(pentylcarbamoyl)phenyl] acetate
CID 3357255
N-hexyl-4-[(propan-2-ylamino)methyl]benzamide
CID 171639539
N-pentyl-4-(propylamino)benzamide
CID 62185567

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropanimidoyl)-N-pentylbenzamide?
The IUPAC name of 4-(2-methylpropanimidoyl)-N-pentylbenzamide (CID 143092439) is 4-(2-methylpropanimidoyl)-N-pentylbenzamide.
What is the SMILES notation for 4-(2-methylpropanimidoyl)-N-pentylbenzamide?
The canonical SMILES for 4-(2-methylpropanimidoyl)-N-pentylbenzamide is [H]/N=C(/c1ccc(C(=O)NCCCCC)cc1)C(C)C.
What is the InChIKey of 4-(2-methylpropanimidoyl)-N-pentylbenzamide?
The InChIKey is NOAPTFKFORABIB-BMRADRMJSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-5-6-11-18-16(19)14-9-7-13(8-10-14)15(17)12(2)3/h7-10,12,17H,4-6,11H2,1-3H3,(H,18,19)/b17-15+.
What are the key properties of 4-(2-methylpropanimidoyl)-N-pentylbenzamide?
4-(2-methylpropanimidoyl)-N-pentylbenzamide has a molecular weight of 260.38 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropanimidoyl)-N-pentylbenzamide is sourced from PubChem (CID 143092439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).