(2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide

C22H34N4O3 — CID 9338305

IUPAC(2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
SMILESCc1cc(C)c(NC(=O)CN(C)[C@H](C)C(=O)NC(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C22H34N4O3/c1-14-11-15(2)20(16(3)12-14)24-19(27)13-26(5)17(4)21(28)25-22(29)23-18-9-7-6-8-10-18/h11-12,17-18H,6-10,13H2,1-5H3,(H,24,27)(H2,23,25,28,29)/t17-/m1/s1
InChIKeyVCOFTEWEWFJJFL-QGZVFWFLSA-N
MW402.54 g/mol
LogP3.03
Rot. Bonds6

About (2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide

(2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide (PubChem CID 9338305) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is (2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
PubChem CID9338305
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name(2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
SMILESCc1cc(C)c(NC(=O)CN(C)[C@H](C)C(=O)NC(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C22H34N4O3/c1-14-11-15(2)20(16(3)12-14)24-19(27)13-26(5)17(4)21(28)25-22(29)23-18-9-7-6-8-10-18/h11-12,17-18H,6-10,13H2,1-5H3,(H,24,27)(H2,23,25,28,29)/t17-/m1/s1
InChIKeyVCOFTEWEWFJJFL-QGZVFWFLSA-N
XLogP3.03
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide with MolForge

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Related Compounds

(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053534
N-(ethylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 51167500
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42911688
N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 17427442
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 40817156
N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46630518
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 9222589
N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46561956
2-[cyclohexyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 4818302
2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16577746
(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 8557442
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide?
The IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide (CID 9338305) is (2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide?
The canonical SMILES for (2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide is Cc1cc(C)c(NC(=O)CN(C)[C@H](C)C(=O)NC(=O)NC2CCCCC2)c(C)c1.
What is the InChIKey of (2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide?
The InChIKey is VCOFTEWEWFJJFL-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-14-11-15(2)20(16(3)12-14)24-19(27)13-26(5)17(4)21(28)25-22(29)23-18-9-7-6-8-10-18/h11-12,17-18H,6-10,13H2,1-5H3,(H,24,27)(H2,23,25,28,29)/t17-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide?
(2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide has a molecular weight of 402.54 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide is sourced from PubChem (CID 9338305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).