tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate

C32H46N2O3 — CID 59898570

IUPACtert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)CC1
InChIInChI=1S/C32H46N2O3/c1-32(2,3)37-31(36)33-24-27-20-22-28(23-21-27)30(35)34-29(18-10-16-25-12-6-4-7-13-25)19-11-17-26-14-8-5-9-15-26/h4-9,12-15,27-29H,10-11,16-24H2,1-3H3,(H,33,36)(H,34,35)
InChIKeySFIOLUGJWSORHT-UHFFFAOYSA-N
MW506.73 g/mol
LogP6.85
Rot. Bonds12

About tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate

tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate (PubChem CID 59898570) has the molecular formula C32H46N2O3 and a molecular weight of 506.73 g/mol. Its IUPAC name is tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate
PubChem CID59898570
Molecular FormulaC32H46N2O3
Molecular Weight506.73 g/mol
Exact Mass506.35
IUPAC Nametert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)CC1
InChIInChI=1S/C32H46N2O3/c1-32(2,3)37-31(36)33-24-27-20-22-28(23-21-27)30(35)34-29(18-10-16-25-12-6-4-7-13-25)19-11-17-26-14-8-5-9-15-26/h4-9,12-15,27-29H,10-11,16-24H2,1-3H3,(H,33,36)(H,34,35)
InChIKeySFIOLUGJWSORHT-UHFFFAOYSA-N
XLogP6.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.73
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate with MolForge

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Related Compounds

benzyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
CID 150065118
benzyl 2-[4-[[(2R)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexanecarbonyl]amino]-3-phenylpropyl]amino]phenyl]acetate
CID 10722467
tert-butyl 4-(1,7-diphenylheptan-4-ylcarbamoyl)piperidine-1-carboxylate;1,7-diphenylheptan-4-amine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 161413603
benzyl 2-[4-[[(2S)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexanecarbonyl]amino]-2-phenylacetyl]amino]phenyl]acetate
CID 10746340
tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate
CID 90776674
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
tert-butyl (3S)-3-(1,7-diphenylheptan-4-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 15546995
tert-butyl N-[[4-[[(2S)-1-[4-(2-amino-2-oxoethyl)anilino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]methyl]carbamate
CID 10768699
N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide
CID 142138153
4-O-benzyl 1-O-methyl (2R)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]butanedioate
CID 58351846
tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate
CID 57094161
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 2761801

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate (CID 59898570) is tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCC(C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate?
The InChIKey is SFIOLUGJWSORHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2O3/c1-32(2,3)37-31(36)33-24-27-20-22-28(23-21-27)30(35)34-29(18-10-16-25-12-6-4-7-13-25)19-11-17-26-14-8-5-9-15-26/h4-9,12-15,27-29H,10-11,16-24H2,1-3H3,(H,33,36)(H,34,35).
What are the key properties of tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate has a molecular weight of 506.73 g/mol, XLogP of 6.85, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 59898570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).