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

C19H28N4O4 — CID 46561956

IUPACN-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCOc1ccc(NC(=O)CN(C)C(C)C(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H28N4O4/c1-13(18(25)22-19(26)21-14-6-4-5-7-14)23(2)12-17(24)20-15-8-10-16(27-3)11-9-15/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,24)(H2,21,22,25,26)
InChIKeyOJOMBVSLLMSITH-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.72
Rot. Bonds7

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

N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 46561956) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID46561956
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC NameN-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCOc1ccc(NC(=O)CN(C)C(C)C(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H28N4O4/c1-13(18(25)22-19(26)21-14-6-4-5-7-14)23(2)12-17(24)20-15-8-10-16(27-3)11-9-15/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,24)(H2,21,22,25,26)
InChIKeyOJOMBVSLLMSITH-UHFFFAOYSA-N
XLogP1.72
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 9222589
N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 17427442
N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46630518
(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
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
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
(2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 9338305
[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 N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide (CID 46561956) is N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide is COc1ccc(NC(=O)CN(C)C(C)C(=O)NC(=O)NC2CCCC2)cc1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is OJOMBVSLLMSITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-13(18(25)22-19(26)21-14-6-4-5-7-14)23(2)12-17(24)20-15-8-10-16(27-3)11-9-15/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,24)(H2,21,22,25,26).
What are the key properties of N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 376.46 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 46561956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).