N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide

C14H19NO — CID 9497565

IUPACN-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
SMILESCC[C@H](C)c1ccccc1NC(=O)C1CC1
InChIInChI=1S/C14H19NO/c1-3-10(2)12-6-4-5-7-13(12)15-14(16)11-8-9-11/h4-7,10-11H,3,8-9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeySMXMLARDFQTTRU-JTQLQIEISA-N
MW217.31 g/mol
LogP3.55
Rot. Bonds4

About N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide

N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide (PubChem CID 9497565) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
PubChem CID9497565
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
SMILESCC[C@H](C)c1ccccc1NC(=O)C1CC1
InChIInChI=1S/C14H19NO/c1-3-10(2)12-6-4-5-7-13(12)15-14(16)11-8-9-11/h4-7,10-11H,3,8-9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeySMXMLARDFQTTRU-JTQLQIEISA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152438
1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide
CID 17018975
N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152752
N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119279
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-[2-[(2R)-butan-2-yl]phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 7449934
N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6497480
4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 174928613
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364707
N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080589
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide (CID 9497565) is N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide is CC[C@H](C)c1ccccc1NC(=O)C1CC1.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is SMXMLARDFQTTRU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19NO/c1-3-10(2)12-6-4-5-7-13(12)15-14(16)11-8-9-11/h4-7,10-11H,3,8-9H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide?
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 217.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 9497565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).