(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide

C20H30N4O4 — CID 9222589

IUPAC(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCOc1ccc(NC(=O)CN(C)[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H30N4O4/c1-14(19(26)23-20(27)22-15-7-5-4-6-8-15)24(2)13-18(25)21-16-9-11-17(28-3)12-10-16/h9-12,14-15H,4-8,13H2,1-3H3,(H,21,25)(H2,22,23,26,27)/t14-/m1/s1
InChIKeyUMROMWVBTACYOB-CQSZACIVSA-N
MW390.48 g/mol
LogP2.11
Rot. Bonds7

About (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide

(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 9222589) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID9222589
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCOc1ccc(NC(=O)CN(C)[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H30N4O4/c1-14(19(26)23-20(27)22-15-7-5-4-6-8-15)24(2)13-18(25)21-16-9-11-17(28-3)12-10-16/h9-12,14-15H,4-8,13H2,1-3H3,(H,21,25)(H2,22,23,26,27)/t14-/m1/s1
InChIKeyUMROMWVBTACYOB-CQSZACIVSA-N
XLogP2.11
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46561956
N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 17427442
(2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 8760985
(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
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222752
2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide
CID 86979720
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053534
(2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 9338305
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222568
(2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 7993669

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide (CID 9222589) is (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide is COc1ccc(NC(=O)CN(C)[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is UMROMWVBTACYOB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-14(19(26)23-20(27)22-15-7-5-4-6-8-15)24(2)13-18(25)21-16-9-11-17(28-3)12-10-16/h9-12,14-15H,4-8,13H2,1-3H3,(H,21,25)(H2,22,23,26,27)/t14-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 390.48 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 9222589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).