2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide

C17H22ClN3O4 — CID 5087238

IUPAC2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(C(=O)C(C)Cl)C2CC2)cc1
InChIInChI=1S/C17H22ClN3O4/c1-11(18)17(24)21(13-5-6-13)10-16(23)19-9-15(22)20-12-3-7-14(25-2)8-4-12/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyCQKILGXCERZBAO-UHFFFAOYSA-N
MW367.83 g/mol
LogP1.37
Rot. Bonds8

About 2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide

2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide (PubChem CID 5087238) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
PubChem CID5087238
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC Name2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(C(=O)C(C)Cl)C2CC2)cc1
InChIInChI=1S/C17H22ClN3O4/c1-11(18)17(24)21(13-5-6-13)10-16(23)19-9-15(22)20-12-3-7-14(25-2)8-4-12/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyCQKILGXCERZBAO-UHFFFAOYSA-N
XLogP1.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 7406072
N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide
CID 42770719
2-[[2-[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 42770718
3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4016801
(2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 7362538
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propan-2-ylacetamide
CID 8818117
cyclopropyl-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 7297720
(2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide
CID 7337594
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 4625550
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
2-chloro-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 3537468
4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4169930

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide (CID 5087238) is 2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide is COc1ccc(NC(=O)CNC(=O)CN(C(=O)C(C)Cl)C2CC2)cc1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The InChIKey is CQKILGXCERZBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O4/c1-11(18)17(24)21(13-5-6-13)10-16(23)19-9-15(22)20-12-3-7-14(25-2)8-4-12/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide?
2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide has a molecular weight of 367.83 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 5087238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).