N-benzyl-3-cyclopropyl-2-methylpropanamide

C14H19NO — CID 11218218

IUPACN-benzyl-3-cyclopropyl-2-methylpropanamide
SMILESCC(CC1CC1)C(=O)NCc1ccccc1
InChIInChI=1S/C14H19NO/c1-11(9-12-7-8-12)14(16)15-10-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,15,16)
InChIKeyPVFIQVMHPYWOGS-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.74
Rot. Bonds5

About N-benzyl-3-cyclopropyl-2-methylpropanamide

N-benzyl-3-cyclopropyl-2-methylpropanamide (PubChem CID 11218218) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-benzyl-3-cyclopropyl-2-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-cyclopropyl-2-methylpropanamide
PubChem CID11218218
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-benzyl-3-cyclopropyl-2-methylpropanamide
SMILESCC(CC1CC1)C(=O)NCc1ccccc1
InChIInChI=1S/C14H19NO/c1-11(9-12-7-8-12)14(16)15-10-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,15,16)
InChIKeyPVFIQVMHPYWOGS-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-N-benzyl-3-cyclopropylpropanamide
CID 130520932
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
N-benzyl-2-methylpropanamide;methane
CID 160760567
N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
CID 70849144
4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid
CID 119247037
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
(2R)-N-benzyl-2-(chloroamino)-3-methylbutanamide
CID 88902404
3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide
CID 111471964
(2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine
CID 144669385
methyl 4-[[[4-(benzylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate
CID 68786677
2,3-diamino-N-benzylbutanamide
CID 143155055
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-cyclopropyl-2-methylpropanamide?
The IUPAC name of N-benzyl-3-cyclopropyl-2-methylpropanamide (CID 11218218) is N-benzyl-3-cyclopropyl-2-methylpropanamide.
What is the SMILES notation for N-benzyl-3-cyclopropyl-2-methylpropanamide?
The canonical SMILES for N-benzyl-3-cyclopropyl-2-methylpropanamide is CC(CC1CC1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-cyclopropyl-2-methylpropanamide?
The InChIKey is PVFIQVMHPYWOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11(9-12-7-8-12)14(16)15-10-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,15,16).
What are the key properties of N-benzyl-3-cyclopropyl-2-methylpropanamide?
N-benzyl-3-cyclopropyl-2-methylpropanamide has a molecular weight of 217.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-cyclopropyl-2-methylpropanamide is sourced from PubChem (CID 11218218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).