tert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate

C20H38N2O4 — CID 100664847

IUPACtert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate
SMILESCO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C20H38N2O4/c1-13(2)16-9-8-14(3)10-17(16)22-18(23)11-15(25-7)12-21-19(24)26-20(4,5)6/h13-17H,8-12H2,1-7H3,(H,21,24)(H,22,23)/t14-,15-,16+,17+/m0/s1
InChIKeyGNHWUNFWSNDNEO-MWDXBVQZSA-N
MW370.53 g/mol
LogP3.49
Rot. Bonds7

About tert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate

tert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate (PubChem CID 100664847) has the molecular formula C20H38N2O4 and a molecular weight of 370.53 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate
PubChem CID100664847
Molecular FormulaC20H38N2O4
Molecular Weight370.53 g/mol
Exact Mass370.28
IUPAC Nametert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate
SMILESCO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C20H38N2O4/c1-13(2)16-9-8-14(3)10-17(16)22-18(23)11-15(25-7)12-21-19(24)26-20(4,5)6/h13-17H,8-12H2,1-7H3,(H,21,24)(H,22,23)/t14-,15-,16+,17+/m0/s1
InChIKeyGNHWUNFWSNDNEO-MWDXBVQZSA-N
XLogP3.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119750943
tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248380
2-methoxy-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
CID 113225650
3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid
CID 62934575
methyl 2-[bis[2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]amino]-2-oxoethyl]amino]acetate
CID 132579395
3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
CID 55110853
tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872
tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate
CID 87486747
tert-butyl N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]carbamate
CID 129070915
tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate
CID 107253828
N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide
CID 55763891
tert-butyl N-[2-[[(1S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]amino]-2-oxoethyl]carbamate
CID 126647652

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate (CID 100664847) is tert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate is CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C.
What is the InChIKey of tert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate?
The InChIKey is GNHWUNFWSNDNEO-MWDXBVQZSA-N. The full InChI is InChI=1S/C20H38N2O4/c1-13(2)16-9-8-14(3)10-17(16)22-18(23)11-15(25-7)12-21-19(24)26-20(4,5)6/h13-17H,8-12H2,1-7H3,(H,21,24)(H,22,23)/t14-,15-,16+,17+/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate?
tert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate has a molecular weight of 370.53 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate is sourced from PubChem (CID 100664847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).