benzyl 2-(N-propylanilino)propanoate

C19H23NO2 — CID 174478380

IUPACbenzyl 2-(N-propylanilino)propanoate
SMILESCCCN(c1ccccc1)C(C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H23NO2/c1-3-14-20(18-12-8-5-9-13-18)16(2)19(21)22-15-17-10-6-4-7-11-17/h4-13,16H,3,14-15H2,1-2H3
InChIKeyKENMHDMFBZXBKN-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.03
Rot. Bonds7

About benzyl 2-(N-propylanilino)propanoate

benzyl 2-(N-propylanilino)propanoate (PubChem CID 174478380) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is benzyl 2-(N-propylanilino)propanoate.

Molecular Properties

Compound Namebenzyl 2-(N-propylanilino)propanoate
PubChem CID174478380
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Namebenzyl 2-(N-propylanilino)propanoate
SMILESCCCN(c1ccccc1)C(C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H23NO2/c1-3-14-20(18-12-8-5-9-13-18)16(2)19(21)22-15-17-10-6-4-7-11-17/h4-13,16H,3,14-15H2,1-2H3
InChIKeyKENMHDMFBZXBKN-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
benzyl (2S)-2-(N-phosphonooxyanilino)propanoate
CID 174867908
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl N-ethyl-N-propylcarbamate
CID 126656974
benzyl 2-methyl-3-(N-methylanilino)propanoate
CID 106484216
benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate
CID 67291803
3-O-benzyl 1-O-ethyl 2-ethylpropanedioate
CID 57182542
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
benzyl N-ethoxy-N-phenylcarbamate
CID 175623586
benzyl N-[methyl(propyl)amino]carbamate
CID 138546931
benzyl (2S)-2-(N-(4-methylphenyl)sulfonylanilino)propanoate
CID 142742404
prop-2-ynyl 2-(N-ethylanilino)propanoate
CID 23345915

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(N-propylanilino)propanoate?
The IUPAC name of benzyl 2-(N-propylanilino)propanoate (CID 174478380) is benzyl 2-(N-propylanilino)propanoate.
What is the SMILES notation for benzyl 2-(N-propylanilino)propanoate?
The canonical SMILES for benzyl 2-(N-propylanilino)propanoate is CCCN(c1ccccc1)C(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(N-propylanilino)propanoate?
The InChIKey is KENMHDMFBZXBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-14-20(18-12-8-5-9-13-18)16(2)19(21)22-15-17-10-6-4-7-11-17/h4-13,16H,3,14-15H2,1-2H3.
What are the key properties of benzyl 2-(N-propylanilino)propanoate?
benzyl 2-(N-propylanilino)propanoate has a molecular weight of 297.40 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(N-propylanilino)propanoate is sourced from PubChem (CID 174478380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).