N-cyclohexyl-1-[[(2S)-1-(2,2-diphenylethylamino)-4-methyl-1-oxopentan-2-yl]amino]cyclobutane-1-carboxamide

C31H43N3O2 — CID 70679914

IUPACN-cyclohexyl-1-[[(2S)-1-(2,2-diphenylethylamino)-4-methyl-1-oxopentan-2-yl]amino]cyclobutane-1-carboxamide
SMILESCC(C)C[C@H](NC1(C(=O)NC2CCCCC2)CCC1)C(=O)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H43N3O2/c1-23(2)21-28(34-31(19-12-20-31)30(36)33-26-17-10-5-11-18-26)29(35)32-22-27(24-13-6-3-7-14-24)25-15-8-4-9-16-25/h3-4,6-9,13-16,23,26-28,34H,5,10-12,17-22H2,1-2H3,(H,32,35)(H,33,36)/t28-/m0/s1
InChIKeyDUZFIKNPXINLOQ-NDEPHWFRSA-N
MW489.70 g/mol
LogP5.31
Rot. Bonds11

About N-cyclohexyl-1-[[(2S)-1-(2,2-diphenylethylamino)-4-methyl-1-oxopentan-2-yl]amino]cyclobutane-1-carboxamide

N-cyclohexyl-1-[[(2S)-1-(2,2-diphenylethylamino)-4-methyl-1-oxopentan-2-yl]amino]cyclobutane-1-carboxamide (PubChem CID 70679914) has the molecular formula C31H43N3O2 and a molecular weight of 489.70 g/mol. Its IUPAC name is N-cyclohexyl-1-[[(2S)-1-(2,2-diphenylethylamino)-4-methyl-1-oxopentan-2-yl]amino]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[[(2S)-1-(2,2-diphenylethylamino)-4-methyl-1-oxopentan-2-yl]amino]cyclobutane-1-carboxamide
PubChem CID70679914
Molecular FormulaC31H43N3O2
Molecular Weight489.70 g/mol
Exact Mass489.34
IUPAC NameN-cyclohexyl-1-[[(2S)-1-(2,2-diphenylethylamino)-4-methyl-1-oxopentan-2-yl]amino]cyclobutane-1-carboxamide
SMILESCC(C)C[C@H](NC1(C(=O)NC2CCCCC2)CCC1)C(=O)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H43N3O2/c1-23(2)21-28(34-31(19-12-20-31)30(36)33-26-17-10-5-11-18-26)29(35)32-22-27(24-13-6-3-7-14-24)25-15-8-4-9-16-25/h3-4,6-9,13-16,23,26-28,34H,5,10-12,17-22H2,1-2H3,(H,32,35)(H,33,36)/t28-/m0/s1
InChIKeyDUZFIKNPXINLOQ-NDEPHWFRSA-N
XLogP5.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.70
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-[[(2S)-1-(2,2-diphenylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methylpiperidine-4-carboxamide
CID 70679907
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108972199
N-cyclohexyl-2-(2-phenylpropylamino)propanamide
CID 115569785
[(2S)-1-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxo-4-phenylpentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 68810126
N-cycloheptyl-2-phenylbutanamide
CID 2890971
1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide
CID 119061773
(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide
CID 163408456
N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide
CID 3236722
(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride
CID 163408455
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[[(2S)-1-(2,2-diphenylethylamino)-4-methyl-1-oxopentan-2-yl]amino]cyclobutane-1-carboxamide?
The IUPAC name of N-cyclohexyl-1-[[(2S)-1-(2,2-diphenylethylamino)-4-methyl-1-oxopentan-2-yl]amino]cyclobutane-1-carboxamide (CID 70679914) is N-cyclohexyl-1-[[(2S)-1-(2,2-diphenylethylamino)-4-methyl-1-oxopentan-2-yl]amino]cyclobutane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[[(2S)-1-(2,2-diphenylethylamino)-4-methyl-1-oxopentan-2-yl]amino]cyclobutane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[[(2S)-1-(2,2-diphenylethylamino)-4-methyl-1-oxopentan-2-yl]amino]cyclobutane-1-carboxamide is CC(C)C[C@H](NC1(C(=O)NC2CCCCC2)CCC1)C(=O)NCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-1-[[(2S)-1-(2,2-diphenylethylamino)-4-methyl-1-oxopentan-2-yl]amino]cyclobutane-1-carboxamide?
The InChIKey is DUZFIKNPXINLOQ-NDEPHWFRSA-N. The full InChI is InChI=1S/C31H43N3O2/c1-23(2)21-28(34-31(19-12-20-31)30(36)33-26-17-10-5-11-18-26)29(35)32-22-27(24-13-6-3-7-14-24)25-15-8-4-9-16-25/h3-4,6-9,13-16,23,26-28,34H,5,10-12,17-22H2,1-2H3,(H,32,35)(H,33,36)/t28-/m0/s1.
What are the key properties of N-cyclohexyl-1-[[(2S)-1-(2,2-diphenylethylamino)-4-methyl-1-oxopentan-2-yl]amino]cyclobutane-1-carboxamide?
N-cyclohexyl-1-[[(2S)-1-(2,2-diphenylethylamino)-4-methyl-1-oxopentan-2-yl]amino]cyclobutane-1-carboxamide has a molecular weight of 489.70 g/mol, XLogP of 5.31, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[[(2S)-1-(2,2-diphenylethylamino)-4-methyl-1-oxopentan-2-yl]amino]cyclobutane-1-carboxamide is sourced from PubChem (CID 70679914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).