methyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate

C15H27N3O3 — CID 70338011

IUPACmethyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC([C@H](N)C(=O)N(C)C2CCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-18(12-4-3-5-12)14(19)13(16)10-6-8-11(9-7-10)17-15(20)21-2/h10-13H,3-9,16H2,1-2H3,(H,17,20)/t10?,11?,13-/m0/s1
InChIKeyVSNSEIMRZUCIHK-XIVSLSHWSA-N
MW297.40 g/mol
LogP1.24
Rot. Bonds4

About methyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate

methyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate (PubChem CID 70338011) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is methyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate
PubChem CID70338011
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Namemethyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC([C@H](N)C(=O)N(C)C2CCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-18(12-4-3-5-12)14(19)13(16)10-6-8-11(9-7-10)17-15(20)21-2/h10-13H,3-9,16H2,1-2H3,(H,17,20)/t10?,11?,13-/m0/s1
InChIKeyVSNSEIMRZUCIHK-XIVSLSHWSA-N
XLogP1.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate with MolForge

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Related Compounds

(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide
CID 70337102
4-[[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]amino]-4-oxobutanoic acid
CID 70338432
2-amino-N-cyclobutyl-N-methyl-2-[4-(methylsulfanylamino)cyclohexyl]acetamide
CID 143017092
(2S)-2-amino-N-cyclobutyl-N-methyl-2-(4-methylcyclohexyl)acetamide
CID 70337039
(2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 70338370
(2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide
CID 70337947
(2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide
CID 70337489
N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]-3-phenylmethoxypropanamide
CID 70338458
2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 70337796
N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]-2-(methylsulfonylmethyl)benzamide
CID 70337098
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
2-amino-N-cyclobutyl-N-methyl-2-[4-(phenoxymethyl)cyclohexyl]acetamide
CID 70337987

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate?
The IUPAC name of methyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate (CID 70338011) is methyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate?
The canonical SMILES for methyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate is COC(=O)NC1CCC([C@H](N)C(=O)N(C)C2CCC2)CC1.
What is the InChIKey of methyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate?
The InChIKey is VSNSEIMRZUCIHK-XIVSLSHWSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-18(12-4-3-5-12)14(19)13(16)10-6-8-11(9-7-10)17-15(20)21-2/h10-13H,3-9,16H2,1-2H3,(H,17,20)/t10?,11?,13-/m0/s1.
What are the key properties of methyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate?
methyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate has a molecular weight of 297.40 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate is sourced from PubChem (CID 70338011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).