N-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide

C31H33NO2 — CID 101168952

IUPACN-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(C(=O)C2[C@@H](c3ccccc3)[C@H]2c2ccccc2)c1)C1CCCCC1
InChIInChI=1S/C31H33NO2/c1-21(22-12-5-2-6-13-22)32-31(34)26-19-11-18-25(20-26)30(33)29-27(23-14-7-3-8-15-23)28(29)24-16-9-4-10-17-24/h3-4,7-11,14-22,27-29H,2,5-6,12-13H2,1H3,(H,32,34)/t21-,27-,28+,29?/m0/s1
InChIKeyNFKUEBGMXQLPGZ-KTEHHTIKSA-N
MW451.61 g/mol
LogP6.77
Rot. Bonds7

About N-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide

N-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide (PubChem CID 101168952) has the molecular formula C31H33NO2 and a molecular weight of 451.61 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide
PubChem CID101168952
Molecular FormulaC31H33NO2
Molecular Weight451.61 g/mol
Exact Mass451.25
IUPAC NameN-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(C(=O)C2[C@@H](c3ccccc3)[C@H]2c2ccccc2)c1)C1CCCCC1
InChIInChI=1S/C31H33NO2/c1-21(22-12-5-2-6-13-22)32-31(34)26-19-11-18-25(20-26)30(33)29-27(23-14-7-3-8-15-23)28(29)24-16-9-4-10-17-24/h3-4,7-11,14-22,27-29H,2,5-6,12-13H2,1H3,(H,32,34)/t21-,27-,28+,29?/m0/s1
InChIKeyNFKUEBGMXQLPGZ-KTEHHTIKSA-N
XLogP6.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide with MolForge

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Related Compounds

3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide
CID 55069258
methyl (2S)-2-[[3-[(2R,3R)-2,3-diphenylcyclopropanecarbonyl]benzoyl]amino]-2-phenylacetate
CID 101168963
3-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 11408529
N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 132516828
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392320
3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 113368337
3-[[(1R)-1-[(3R)-oxolan-3-yl]ethyl]carbamoyl]benzoic acid
CID 124595766
4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388850

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide (CID 101168952) is N-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide is C[C@H](NC(=O)c1cccc(C(=O)C2[C@@H](c3ccccc3)[C@H]2c2ccccc2)c1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide?
The InChIKey is NFKUEBGMXQLPGZ-KTEHHTIKSA-N. The full InChI is InChI=1S/C31H33NO2/c1-21(22-12-5-2-6-13-22)32-31(34)26-19-11-18-25(20-26)30(33)29-27(23-14-7-3-8-15-23)28(29)24-16-9-4-10-17-24/h3-4,7-11,14-22,27-29H,2,5-6,12-13H2,1H3,(H,32,34)/t21-,27-,28+,29?/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide?
N-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide has a molecular weight of 451.61 g/mol, XLogP of 6.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide is sourced from PubChem (CID 101168952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).