N-(1-phenylbutan-2-yl)cyclopropanecarboxamide

C14H19NO — CID 2975078

IUPACN-(1-phenylbutan-2-yl)cyclopropanecarboxamide
SMILESCCC(Cc1ccccc1)NC(=O)C1CC1
InChIInChI=1S/C14H19NO/c1-2-13(15-14(16)12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,15,16)
InChIKeyDLVJHAKSMWJQLV-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.53
Rot. Bonds5

About N-(1-phenylbutan-2-yl)cyclopropanecarboxamide

N-(1-phenylbutan-2-yl)cyclopropanecarboxamide (PubChem CID 2975078) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(1-phenylbutan-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1-phenylbutan-2-yl)cyclopropanecarboxamide
PubChem CID2975078
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(1-phenylbutan-2-yl)cyclopropanecarboxamide
SMILESCCC(Cc1ccccc1)NC(=O)C1CC1
InChIInChI=1S/C14H19NO/c1-2-13(15-14(16)12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,15,16)
InChIKeyDLVJHAKSMWJQLV-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-(1-phenylbutan-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(1-phenylbutan-2-yl)cyclopropanecarboxamide (CID 2975078) is N-(1-phenylbutan-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1-phenylbutan-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(1-phenylbutan-2-yl)cyclopropanecarboxamide is CCC(Cc1ccccc1)NC(=O)C1CC1.
What is the InChIKey of N-(1-phenylbutan-2-yl)cyclopropanecarboxamide?
The InChIKey is DLVJHAKSMWJQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-13(15-14(16)12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,15,16).
What are the key properties of N-(1-phenylbutan-2-yl)cyclopropanecarboxamide?
N-(1-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-(1-phenylbutan-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 2975078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).