cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide

C20H23NO — CID 11902701

IUPACcis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC[C@@H](C)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C20H23NO/c1-3-14(2)15-9-11-17(12-10-15)21-20(22)19-13-18(19)16-7-5-4-6-8-16/h4-12,14,18-19H,3,13H2,1-2H3,(H,21,22)/t14-,18-,19-/m1/s1
InChIKeyLQAASMHLCRDQTP-NIKGAXFTSA-N
MW293.41 g/mol
LogP4.94
Rot. Bonds5

About cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 11902701) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID11902701
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Namecis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC[C@@H](C)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C20H23NO/c1-3-14(2)15-9-11-17(12-10-15)21-20(22)19-13-18(19)16-7-5-4-6-8-16/h4-12,14,18-19H,3,13H2,1-2H3,(H,21,22)/t14-,18-,19-/m1/s1
InChIKeyLQAASMHLCRDQTP-NIKGAXFTSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
N-(4-acetylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 4205798
2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
CID 631039
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 110280040
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95171765
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 58155377
N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569199
trans-(1S,2S)-N-[(2S)-butan-2-yl]-N-[(2R)-butan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 98329771
cis-(1R,2S)-N,N-bis[(2S)-butan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 40584792

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide (CID 11902701) is cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide is CC[C@@H](C)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is LQAASMHLCRDQTP-NIKGAXFTSA-N. The full InChI is InChI=1S/C20H23NO/c1-3-14(2)15-9-11-17(12-10-15)21-20(22)19-13-18(19)16-7-5-4-6-8-16/h4-12,14,18-19H,3,13H2,1-2H3,(H,21,22)/t14-,18-,19-/m1/s1.
What are the key properties of cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 11902701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).