(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide

C19H26Cl2N4O3 — CID 40817156

IUPAC(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESC[C@H](C(=O)NC(=O)NC1CCCCC1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H26Cl2N4O3/c1-12(18(27)24-19(28)23-13-6-4-3-5-7-13)25(2)11-17(26)22-14-8-9-15(20)16(21)10-14/h8-10,12-13H,3-7,11H2,1-2H3,(H,22,26)(H2,23,24,27,28)/t12-/m1/s1
InChIKeyPLPYNGGQKHVQAJ-GFCCVEGCSA-N
MW429.35 g/mol
LogP3.41
Rot. Bonds6

About (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide

(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 40817156) has the molecular formula C19H26Cl2N4O3 and a molecular weight of 429.35 g/mol. Its IUPAC name is (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID40817156
Molecular FormulaC19H26Cl2N4O3
Molecular Weight429.35 g/mol
Exact Mass428.14
IUPAC Name(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESC[C@H](C(=O)NC(=O)NC1CCCCC1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H26Cl2N4O3/c1-12(18(27)24-19(28)23-13-6-4-3-5-7-13)25(2)11-17(26)22-14-8-9-15(20)16(21)10-14/h8-10,12-13H,3-7,11H2,1-2H3,(H,22,26)(H2,23,24,27,28)/t12-/m1/s1
InChIKeyPLPYNGGQKHVQAJ-GFCCVEGCSA-N
XLogP3.41
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide with MolForge

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46630518
N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 17427442
(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
(2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 9338305
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053534
2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide
CID 86979720
2-[(2-chlorophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 46801701
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 31374778
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787931
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylpropanamide
CID 16561622

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide (CID 40817156) is (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide is C[C@H](C(=O)NC(=O)NC1CCCCC1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is PLPYNGGQKHVQAJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H26Cl2N4O3/c1-12(18(27)24-19(28)23-13-6-4-3-5-7-13)25(2)11-17(26)22-14-8-9-15(20)16(21)10-14/h8-10,12-13H,3-7,11H2,1-2H3,(H,22,26)(H2,23,24,27,28)/t12-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 429.35 g/mol, XLogP of 3.41, 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-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 40817156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).