methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate

C15H21ClN2O3 — CID 61035161

IUPACmethyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)Nc1ccc(C)c(Cl)c1)CC(=O)OC
InChIInChI=1S/C15H21ClN2O3/c1-4-7-18(10-15(20)21-3)9-14(19)17-12-6-5-11(2)13(16)8-12/h5-6,8H,4,7,9-10H2,1-3H3,(H,17,19)
InChIKeyDZYFDOADOGJNLY-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.47
Rot. Bonds7

About methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate

methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate (PubChem CID 61035161) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate
PubChem CID61035161
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Namemethyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)Nc1ccc(C)c(Cl)c1)CC(=O)OC
InChIInChI=1S/C15H21ClN2O3/c1-4-7-18(10-15(20)21-3)9-14(19)17-12-6-5-11(2)13(16)8-12/h5-6,8H,4,7,9-10H2,1-3H3,(H,17,19)
InChIKeyDZYFDOADOGJNLY-UHFFFAOYSA-N
XLogP2.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669605
ethyl 3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62013382
2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 54818050
methyl 2-[(3-chloro-4-methylphenyl)carbamoyl-propan-2-ylamino]acetate
CID 60970548
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide
CID 4968627
2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9030490
N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706053
methyl 3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785388
methyl 2-[benzyl-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]acetate
CID 55819309
N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464468
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008549
N-(3-chloro-4-methylphenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677060

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate?
The IUPAC name of methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate (CID 61035161) is methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate is CCCN(CC(=O)Nc1ccc(C)c(Cl)c1)CC(=O)OC.
What is the InChIKey of methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate?
The InChIKey is DZYFDOADOGJNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-4-7-18(10-15(20)21-3)9-14(19)17-12-6-5-11(2)13(16)8-12/h5-6,8H,4,7,9-10H2,1-3H3,(H,17,19).
What are the key properties of methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate?
methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate has a molecular weight of 312.80 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate is sourced from PubChem (CID 61035161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).