N-[methyl(pentyl)carbamoyl]benzamide

C14H20N2O2 — CID 3378648

IUPACN-[methyl(pentyl)carbamoyl]benzamide
SMILESCCCCCN(C)C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-3-4-8-11-16(2)14(18)15-13(17)12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,15,17,18)
InChIKeyJWXDFOBEFDQOBZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.66
Rot. Bonds5

About N-[methyl(pentyl)carbamoyl]benzamide

N-[methyl(pentyl)carbamoyl]benzamide (PubChem CID 3378648) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[methyl(pentyl)carbamoyl]benzamide.

Molecular Properties

Compound NameN-[methyl(pentyl)carbamoyl]benzamide
PubChem CID3378648
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[methyl(pentyl)carbamoyl]benzamide
SMILESCCCCCN(C)C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-3-4-8-11-16(2)14(18)15-13(17)12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,15,17,18)
InChIKeyJWXDFOBEFDQOBZ-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide
CID 54175456
N,N-dimethylhexan-1-amine;1,2-diphenylethane-1,2-dione
CID 69012000
N-[hydroxycarbamoyl(methyl)carbamoyl]benzamide
CID 87958715
N-oct-2-en-3-ylbenzamide
CID 69089961
3-(3-acetylphenyl)-1-methyl-1-pentylurea
CID 61347402
N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid
CID 143334744
benzoic acid;bis(N,N-dimethyldodecan-1-amine);hydrochloride
CID 175115715
1,2-diphenylethane-1,2-dione;N-ethyl-N-methylhexan-1-amine
CID 69013221
benzoic acid;N,N-dioctyloctan-1-amine
CID 68632101
N-[3-[butyl(methyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 78796197
N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964
N-[2-[butyl(2-hydroxyethyl)amino]acetyl]benzamide
CID 60689022

Frequently Asked Questions

What is the IUPAC name of N-[methyl(pentyl)carbamoyl]benzamide?
The IUPAC name of N-[methyl(pentyl)carbamoyl]benzamide (CID 3378648) is N-[methyl(pentyl)carbamoyl]benzamide.
What is the SMILES notation for N-[methyl(pentyl)carbamoyl]benzamide?
The canonical SMILES for N-[methyl(pentyl)carbamoyl]benzamide is CCCCCN(C)C(=O)NC(=O)c1ccccc1.
What is the InChIKey of N-[methyl(pentyl)carbamoyl]benzamide?
The InChIKey is JWXDFOBEFDQOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-4-8-11-16(2)14(18)15-13(17)12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,15,17,18).
What are the key properties of N-[methyl(pentyl)carbamoyl]benzamide?
N-[methyl(pentyl)carbamoyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(pentyl)carbamoyl]benzamide is sourced from PubChem (CID 3378648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).