N-[2-(1-methylcyclopropyl)phenyl]butanamide

C14H19NO — CID 804019

IUPACN-[2-(1-methylcyclopropyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1C1(C)CC1
InChIInChI=1S/C14H19NO/c1-3-6-13(16)15-12-8-5-4-7-11(12)14(2)9-10-14/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,15,16)
InChIKeyZHUGSVQDDRRBNX-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.48
Rot. Bonds4

About N-[2-(1-methylcyclopropyl)phenyl]butanamide

N-[2-(1-methylcyclopropyl)phenyl]butanamide (PubChem CID 804019) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[2-(1-methylcyclopropyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-(1-methylcyclopropyl)phenyl]butanamide
PubChem CID804019
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[2-(1-methylcyclopropyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1C1(C)CC1
InChIInChI=1S/C14H19NO/c1-3-6-13(16)15-12-8-5-4-7-11(12)14(2)9-10-14/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,15,16)
InChIKeyZHUGSVQDDRRBNX-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylcyclopropyl)phenyl]butanamide?
The IUPAC name of N-[2-(1-methylcyclopropyl)phenyl]butanamide (CID 804019) is N-[2-(1-methylcyclopropyl)phenyl]butanamide.
What is the SMILES notation for N-[2-(1-methylcyclopropyl)phenyl]butanamide?
The canonical SMILES for N-[2-(1-methylcyclopropyl)phenyl]butanamide is CCCC(=O)Nc1ccccc1C1(C)CC1.
What is the InChIKey of N-[2-(1-methylcyclopropyl)phenyl]butanamide?
The InChIKey is ZHUGSVQDDRRBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-6-13(16)15-12-8-5-4-7-11(12)14(2)9-10-14/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(1-methylcyclopropyl)phenyl]butanamide?
N-[2-(1-methylcyclopropyl)phenyl]butanamide has a molecular weight of 217.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylcyclopropyl)phenyl]butanamide is sourced from PubChem (CID 804019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).