ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate

C16H24N2O4 — CID 42697935

IUPACethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate
SMILESCCCN(CCC(=O)OCC)C(=O)Nc1ccccc1OC
InChIInChI=1S/C16H24N2O4/c1-4-11-18(12-10-15(19)22-5-2)16(20)17-13-8-6-7-9-14(13)21-3/h6-9H,4-5,10-12H2,1-3H3,(H,17,20)
InChIKeyBTCPYJLBYPPWCM-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.89
Rot. Bonds8

About ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate

ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate (PubChem CID 42697935) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate
PubChem CID42697935
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nameethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate
SMILESCCCN(CCC(=O)OCC)C(=O)Nc1ccccc1OC
InChIInChI=1S/C16H24N2O4/c1-4-11-18(12-10-15(19)22-5-2)16(20)17-13-8-6-7-9-14(13)21-3/h6-9H,4-5,10-12H2,1-3H3,(H,17,20)
InChIKeyBTCPYJLBYPPWCM-UHFFFAOYSA-N
XLogP2.89
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate
CID 61011322
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate
CID 42697513
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 119267704
ethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
CID 42700153
4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide
CID 119267716
ethyl 3-[4-methoxy-N-[(2-methoxyphenyl)carbamothioyl]anilino]propanoate
CID 3337417
ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate
CID 42697979
3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea
CID 91905721
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
1-(2-methoxyethyl)-3-naphthalen-1-yl-1-propylurea
CID 3823639
2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide
CID 8620896

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate?
The IUPAC name of ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate (CID 42697935) is ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate.
What is the SMILES notation for ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate?
The canonical SMILES for ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate is CCCN(CCC(=O)OCC)C(=O)Nc1ccccc1OC.
What is the InChIKey of ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate?
The InChIKey is BTCPYJLBYPPWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-11-18(12-10-15(19)22-5-2)16(20)17-13-8-6-7-9-14(13)21-3/h6-9H,4-5,10-12H2,1-3H3,(H,17,20).
What are the key properties of ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate?
ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate has a molecular weight of 308.38 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate is sourced from PubChem (CID 42697935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).