N-benzyl-N-butylpropanamide

C14H21NO — CID 12502571

IUPACN-benzyl-N-butylpropanamide
SMILESCCCCN(Cc1ccccc1)C(=O)CC
InChIInChI=1S/C14H21NO/c1-3-5-11-15(14(16)4-2)12-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3
InChIKeyLCKFXEZDCSCWMN-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.23
Rot. Bonds6

About N-benzyl-N-butylpropanamide

N-benzyl-N-butylpropanamide (PubChem CID 12502571) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-benzyl-N-butylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-butylpropanamide
PubChem CID12502571
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-benzyl-N-butylpropanamide
SMILESCCCCN(Cc1ccccc1)C(=O)CC
InChIInChI=1S/C14H21NO/c1-3-5-11-15(14(16)4-2)12-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3
InChIKeyLCKFXEZDCSCWMN-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
N-benzyl-N-(2-chloroethyl)propanamide
CID 63390961
N-benzyl-2-bromo-N-hexylacetamide
CID 68872277
N-benzyl-2-(dimethylamino)-N-dodecylacetamide
CID 172759301
(Z)-4-[benzyl(butyl)amino]-2-hydroxy-4-oxobut-2-enoic acid
CID 54689381
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butylpropanamide
CID 5096553
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890
3-[3-[[3-phenylpropyl(propanoyl)amino]methyl]phenyl]propanoic acid
CID 59509204
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butylpropanamide?
The IUPAC name of N-benzyl-N-butylpropanamide (CID 12502571) is N-benzyl-N-butylpropanamide.
What is the SMILES notation for N-benzyl-N-butylpropanamide?
The canonical SMILES for N-benzyl-N-butylpropanamide is CCCCN(Cc1ccccc1)C(=O)CC.
What is the InChIKey of N-benzyl-N-butylpropanamide?
The InChIKey is LCKFXEZDCSCWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-5-11-15(14(16)4-2)12-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3.
What are the key properties of N-benzyl-N-butylpropanamide?
N-benzyl-N-butylpropanamide has a molecular weight of 219.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butylpropanamide is sourced from PubChem (CID 12502571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).