2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

C20H25ClN2O3 — CID 24582098

IUPAC2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(Cc2ccccc2)C(C)C)c(OC)cc1Cl
InChIInChI=1S/C20H25ClN2O3/c1-14(2)23(12-15-8-6-5-7-9-15)13-20(24)22-17-11-18(25-3)16(21)10-19(17)26-4/h5-11,14H,12-13H2,1-4H3,(H,22,24)
InChIKeyHMFWLWQKGFLFHC-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.21
Rot. Bonds8

About 2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (PubChem CID 24582098) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
PubChem CID24582098
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(Cc2ccccc2)C(C)C)c(OC)cc1Cl
InChIInChI=1S/C20H25ClN2O3/c1-14(2)23(12-15-8-6-5-7-9-15)13-20(24)22-17-11-18(25-3)16(21)10-19(17)26-4/h5-11,14H,12-13H2,1-4H3,(H,22,24)
InChIKeyHMFWLWQKGFLFHC-UHFFFAOYSA-N
XLogP4.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylbutanamide
CID 2286946
2-[benzyl(ethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 18084887
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 31995742
2-[benzyl(propan-2-yl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109005704
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113161536
2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 60512989
N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide
CID 46402737
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 35678379
2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 7936748
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113162310
2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18131526
methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate
CID 33097599

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (CID 24582098) is 2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CN(Cc2ccccc2)C(C)C)c(OC)cc1Cl.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The InChIKey is HMFWLWQKGFLFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-14(2)23(12-15-8-6-5-7-9-15)13-20(24)22-17-11-18(25-3)16(21)10-19(17)26-4/h5-11,14H,12-13H2,1-4H3,(H,22,24).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide has a molecular weight of 376.88 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 24582098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).