N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide

C15H21ClN2O4 — CID 113001550

IUPACN-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
SMILESCOc1cc(NC(=O)CNC(=O)CC(C)C)c(OC)cc1Cl
InChIInChI=1S/C15H21ClN2O4/c1-9(2)5-14(19)17-8-15(20)18-11-7-12(21-3)10(16)6-13(11)22-4/h6-7,9H,5,8H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyTZHZDKLUBXHMMI-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.46
Rot. Bonds7

About N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide

N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide (PubChem CID 113001550) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
PubChem CID113001550
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC NameN-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
SMILESCOc1cc(NC(=O)CNC(=O)CC(C)C)c(OC)cc1Cl
InChIInChI=1S/C15H21ClN2O4/c1-9(2)5-14(19)17-8-15(20)18-11-7-12(21-3)10(16)6-13(11)22-4/h6-7,9H,5,8H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyTZHZDKLUBXHMMI-UHFFFAOYSA-N
XLogP2.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide
CID 113001547
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
1-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylbutanoylamino)thiourea
CID 3671282
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113001558
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 113001562
(3S)-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylbutanamide
CID 2286946
N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide
CID 113001569
3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
CID 60836807
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride
CID 120586930
5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 82848785

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide (CID 113001550) is N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide is COc1cc(NC(=O)CNC(=O)CC(C)C)c(OC)cc1Cl.
What is the InChIKey of N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide?
The InChIKey is TZHZDKLUBXHMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4/c1-9(2)5-14(19)17-8-15(20)18-11-7-12(21-3)10(16)6-13(11)22-4/h6-7,9H,5,8H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide?
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide has a molecular weight of 328.80 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 113001550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).