N-(4-phenylbutan-2-yl)cyclopropanecarboxamide

C14H19NO — CID 2931988

IUPACN-(4-phenylbutan-2-yl)cyclopropanecarboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CC1
InChIInChI=1S/C14H19NO/c1-11(15-14(16)13-9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,15,16)
InChIKeyPFQYHRVJCPCDJG-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.53
Rot. Bonds5

About N-(4-phenylbutan-2-yl)cyclopropanecarboxamide

N-(4-phenylbutan-2-yl)cyclopropanecarboxamide (PubChem CID 2931988) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)cyclopropanecarboxamide
PubChem CID2931988
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(4-phenylbutan-2-yl)cyclopropanecarboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CC1
InChIInChI=1S/C14H19NO/c1-11(15-14(16)13-9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,15,16)
InChIKeyPFQYHRVJCPCDJG-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)cyclopropanecarboxamide (CID 2931988) is N-(4-phenylbutan-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)cyclopropanecarboxamide is CC(CCc1ccccc1)NC(=O)C1CC1.
What is the InChIKey of N-(4-phenylbutan-2-yl)cyclopropanecarboxamide?
The InChIKey is PFQYHRVJCPCDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11(15-14(16)13-9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,15,16).
What are the key properties of N-(4-phenylbutan-2-yl)cyclopropanecarboxamide?
N-(4-phenylbutan-2-yl)cyclopropanecarboxamide has a molecular weight of 217.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 2931988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).