N-benzyl-N-pentylprop-2-enamide

C15H21NO — CID 176825792

IUPACN-benzyl-N-pentylprop-2-enamide
SMILESC=CC(=O)N(CCCCC)Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-3-5-9-12-16(15(17)4-2)13-14-10-7-6-8-11-14/h4,6-8,10-11H,2-3,5,9,12-13H2,1H3
InChIKeyOMOQWQSRWPYPGE-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.39
Rot. Bonds7

About N-benzyl-N-pentylprop-2-enamide

N-benzyl-N-pentylprop-2-enamide (PubChem CID 176825792) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-benzyl-N-pentylprop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-pentylprop-2-enamide
PubChem CID176825792
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-benzyl-N-pentylprop-2-enamide
SMILESC=CC(=O)N(CCCCC)Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-3-5-9-12-16(15(17)4-2)13-14-10-7-6-8-11-14/h4,6-8,10-11H,2-3,5,9,12-13H2,1H3
InChIKeyOMOQWQSRWPYPGE-UHFFFAOYSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[2-[benzyl(buta-1,3-dien-2-yl)amino]ethyl]prop-2-enamide
CID 135129741
N-benzyl-N-dodecyl-2-methylprop-2-enamide
CID 141486609
(Z)-4-[benzyl(butyl)amino]-2-hydroxy-4-oxobut-2-enoic acid
CID 54689381
N-benzyl-2-bromo-N-hexylacetamide
CID 68872277
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316
N-benzyl-2-(dimethylamino)-N-dodecylacetamide
CID 172759301
N-benzyl-N-(4-octylphenyl)prop-2-enamide
CID 156703845
N-benzyl-N-butylpropanamide
CID 12502571
2-[[benzyl(pentyl)carbamoyl]amino]acetic acid
CID 70441420
N-benzyl-N-(cyanomethyl)prop-2-enamide
CID 61042063
N-methyl-N-(4-phenylbutyl)prop-2-enamide
CID 60949708
N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-pentylprop-2-enamide?
The IUPAC name of N-benzyl-N-pentylprop-2-enamide (CID 176825792) is N-benzyl-N-pentylprop-2-enamide.
What is the SMILES notation for N-benzyl-N-pentylprop-2-enamide?
The canonical SMILES for N-benzyl-N-pentylprop-2-enamide is C=CC(=O)N(CCCCC)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-pentylprop-2-enamide?
The InChIKey is OMOQWQSRWPYPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-5-9-12-16(15(17)4-2)13-14-10-7-6-8-11-14/h4,6-8,10-11H,2-3,5,9,12-13H2,1H3.
What are the key properties of N-benzyl-N-pentylprop-2-enamide?
N-benzyl-N-pentylprop-2-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-pentylprop-2-enamide is sourced from PubChem (CID 176825792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).