N-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide

C25H32N2O5 — CID 41170779

IUPACN-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide
SMILESCOc1cc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C25H32N2O5/c1-30-21-15-19(16-22(31-2)23(21)32-3)26-25(29)20(14-17-10-6-4-7-11-17)27-24(28)18-12-8-5-9-13-18/h4,6-7,10-11,15-16,18,20H,5,8-9,12-14H2,1-3H3,(H,26,29)(H,27,28)/t20-/m1/s1
InChIKeyUTYLCRMOMNCDLL-HXUWFJFHSA-N
MW440.54 g/mol
LogP3.96
Rot. Bonds9

About N-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide

N-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide (PubChem CID 41170779) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide
PubChem CID41170779
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC NameN-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide
SMILESCOc1cc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C25H32N2O5/c1-30-21-15-19(16-22(31-2)23(21)32-3)26-25(29)20(14-17-10-6-4-7-11-17)27-24(28)18-12-8-5-9-13-18/h4,6-7,10-11,15-16,18,20H,5,8-9,12-14H2,1-3H3,(H,26,29)(H,27,28)/t20-/m1/s1
InChIKeyUTYLCRMOMNCDLL-HXUWFJFHSA-N
XLogP3.96
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 30475898
N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 36670866
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide
CID 7064689
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
N-[(2S)-1-[4-(tert-butylamino)sulfanyl-3-fluoroanilino]-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide
CID 146546515
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 54773713
(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 92502327
benzyl N-[1-(3,4-dimethoxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 43007898
N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclobutanecarboxamide
CID 42757727
N-(1-bromo-3-phenylpropan-2-yl)cycloheptanecarboxamide
CID 114311229
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide (CID 41170779) is N-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide is COc1cc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCCCC2)cc(OC)c1OC.
What is the InChIKey of N-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide?
The InChIKey is UTYLCRMOMNCDLL-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-30-21-15-19(16-22(31-2)23(21)32-3)26-25(29)20(14-17-10-6-4-7-11-17)27-24(28)18-12-8-5-9-13-18/h4,6-7,10-11,15-16,18,20H,5,8-9,12-14H2,1-3H3,(H,26,29)(H,27,28)/t20-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide?
N-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide has a molecular weight of 440.54 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 41170779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).