methyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate

C15H21ClN2O3 — CID 62027581

IUPACmethyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(CCC(=O)Nc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C15H21ClN2O3/c1-11(2)18(10-15(20)21-3)8-7-14(19)17-13-6-4-5-12(16)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,19)
InChIKeyOQCUYTXUHIRGOO-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.55
Rot. Bonds7

About methyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate

methyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate (PubChem CID 62027581) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is methyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
PubChem CID62027581
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Namemethyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(CCC(=O)Nc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C15H21ClN2O3/c1-11(2)18(10-15(20)21-3)8-7-14(19)17-13-6-4-5-12(16)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,19)
InChIKeyOQCUYTXUHIRGOO-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62026089
methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate
CID 62027371
methyl 5-(3-chloroanilino)-5-oxopentanoate
CID 3987569
ethyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62013389
2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid
CID 63065919
3-[acetyl(butan-2-yl)amino]-N-(3-chlorophenyl)propanamide
CID 113116225
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113125911
N-(3-chlorophenyl)-3-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide
CID 34213478
methyl 4-[3-(2-methylpropanoylamino)anilino]-4-oxobutanoate
CID 17189183
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144532
N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207322

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate (CID 62027581) is methyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate is COC(=O)CN(CCC(=O)Nc1cccc(Cl)c1)C(C)C.
What is the InChIKey of methyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate?
The InChIKey is OQCUYTXUHIRGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-11(2)18(10-15(20)21-3)8-7-14(19)17-13-6-4-5-12(16)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,19).
What are the key properties of methyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate?
methyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate has a molecular weight of 312.80 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 62027581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).