(2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide

C21H32N4O2 — CID 70337947

IUPAC(2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide
SMILESCc1ccc(NC(=O)NC2CCC([C@H](N)C(=O)N(C)C3CCC3)CC2)cc1
InChIInChI=1S/C21H32N4O2/c1-14-6-10-16(11-7-14)23-21(27)24-17-12-8-15(9-13-17)19(22)20(26)25(2)18-4-3-5-18/h6-7,10-11,15,17-19H,3-5,8-9,12-13,22H2,1-2H3,(H2,23,24,27)/t15?,17?,19-/m0/s1
InChIKeyXTOLDKQLZRGCKY-KVWWFHCMSA-N
MW372.51 g/mol
LogP3.01
Rot. Bonds5

About (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide

(2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide (PubChem CID 70337947) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide
PubChem CID70337947
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name(2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide
SMILESCc1ccc(NC(=O)NC2CCC([C@H](N)C(=O)N(C)C3CCC3)CC2)cc1
InChIInChI=1S/C21H32N4O2/c1-14-6-10-16(11-7-14)23-21(27)24-17-12-8-15(9-13-17)19(22)20(26)25(2)18-4-3-5-18/h6-7,10-11,15,17-19H,3-5,8-9,12-13,22H2,1-2H3,(H2,23,24,27)/t15?,17?,19-/m0/s1
InChIKeyXTOLDKQLZRGCKY-KVWWFHCMSA-N
XLogP3.01
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide with MolForge

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Related Compounds

(2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 70338370
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
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
N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]-3-phenylmethoxypropanamide
CID 70338458
(2S)-2-amino-N-cyclobutyl-N-methyl-2-(4-methylcyclohexyl)acetamide
CID 70337039
1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
CID 62414254
4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]-N-[4-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide
CID 70337533
2-amino-N-cyclopentyl-N-methyl-2-(4-methylphenyl)acetamide
CID 106151212
1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 17423192
1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea
CID 43596708
1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 50903525

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide?
The IUPAC name of (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide (CID 70337947) is (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide.
What is the SMILES notation for (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide?
The canonical SMILES for (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide is Cc1ccc(NC(=O)NC2CCC([C@H](N)C(=O)N(C)C3CCC3)CC2)cc1.
What is the InChIKey of (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide?
The InChIKey is XTOLDKQLZRGCKY-KVWWFHCMSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-14-6-10-16(11-7-14)23-21(27)24-17-12-8-15(9-13-17)19(22)20(26)25(2)18-4-3-5-18/h6-7,10-11,15,17-19H,3-5,8-9,12-13,22H2,1-2H3,(H2,23,24,27)/t15?,17?,19-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide?
(2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide has a molecular weight of 372.51 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]acetamide is sourced from PubChem (CID 70337947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).