ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate

C14H18Cl2N2O3 — CID 61008817

IUPACethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3/c1-3-7-18(9-13(19)21-4-2)14(20)17-10-5-6-11(15)12(16)8-10/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeySRAUKEWXYRWRRF-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.80
Rot. Bonds6

About ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate

ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate (PubChem CID 61008817) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate
PubChem CID61008817
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Nameethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3/c1-3-7-18(9-13(19)21-4-2)14(20)17-10-5-6-11(15)12(16)8-10/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeySRAUKEWXYRWRRF-UHFFFAOYSA-N
XLogP3.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea
CID 20788075
ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate
CID 61008516
ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate
CID 54900426
1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea
CID 79663881
4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832307
1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea
CID 76929020
methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate
CID 60969496
3-(3,4-dichloroanilino)-N,N-dipropylpropanamide
CID 109033088
2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769251
ethyl 2-[(3-chloro-4-iodobenzoyl)-propylamino]acetate
CID 103736240
methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate
CID 55006210
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate?
The IUPAC name of ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate (CID 61008817) is ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate?
The canonical SMILES for ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate?
The InChIKey is SRAUKEWXYRWRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-3-7-18(9-13(19)21-4-2)14(20)17-10-5-6-11(15)12(16)8-10/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,20).
What are the key properties of ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate?
ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate has a molecular weight of 333.22 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate is sourced from PubChem (CID 61008817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).