methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate

C15H21ClN2O3 — CID 62027371

IUPACmethyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate
SMILESCCN(CCC(=O)Nc1cccc(Cl)c1)CCC(=O)OC
InChIInChI=1S/C15H21ClN2O3/c1-3-18(10-8-15(20)21-2)9-7-14(19)17-13-6-4-5-12(16)11-13/h4-6,11H,3,7-10H2,1-2H3,(H,17,19)
InChIKeyWGJYWCORSRRPFV-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.55
Rot. Bonds8

About methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate

methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate (PubChem CID 62027371) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate
PubChem CID62027371
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Namemethyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate
SMILESCCN(CCC(=O)Nc1cccc(Cl)c1)CCC(=O)OC
InChIInChI=1S/C15H21ClN2O3/c1-3-18(10-8-15(20)21-2)9-7-14(19)17-13-6-4-5-12(16)11-13/h4-6,11H,3,7-10H2,1-2H3,(H,17,19)
InChIKeyWGJYWCORSRRPFV-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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 5-(3-chloroanilino)-5-oxopentanoate
CID 3987569
ethyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62013389
methyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62027581
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112461
3-(N-acetyl-2-ethylanilino)-N-(3-chlorophenyl)propanamide
CID 113125262
2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid
CID 63065919
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
3-[acetyl(butan-2-yl)amino]-N-(3-chlorophenyl)propanamide
CID 113116225
N-(4-chlorophenyl)-3-(diethylamino)propanamide
CID 109030730
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134
N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide
CID 111423199

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate?
The IUPAC name of methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate (CID 62027371) is methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate?
The canonical SMILES for methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate is CCN(CCC(=O)Nc1cccc(Cl)c1)CCC(=O)OC.
What is the InChIKey of methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate?
The InChIKey is WGJYWCORSRRPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-3-18(10-8-15(20)21-2)9-7-14(19)17-13-6-4-5-12(16)11-13/h4-6,11H,3,7-10H2,1-2H3,(H,17,19).
What are the key properties of methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate?
methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate has a molecular weight of 312.80 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate is sourced from PubChem (CID 62027371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).