3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid

C15H22N2O4 — CID 82326722

IUPAC3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(C)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C15H22N2O4/c1-4-17(10-9-14(18)19)11(2)15(20)16-12-5-7-13(21-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyPYUXVHMUDDXZRF-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.82
Rot. Bonds8

About 3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid

3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid (PubChem CID 82326722) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid
PubChem CID82326722
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(C)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C15H22N2O4/c1-4-17(10-9-14(18)19)11(2)15(20)16-12-5-7-13(21-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyPYUXVHMUDDXZRF-UHFFFAOYSA-N
XLogP1.82
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(4-methoxyanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119911900
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 18078718
(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 37425693
(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide
CID 9027057
N-[4-(difluoromethoxy)phenyl]-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 110881217
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18094701
2-(diethylamino)-N-(4-methylphenyl)propanamide
CID 24843836
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 111750353
N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 16555013
N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63696461
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid (CID 82326722) is 3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid is CCN(CCC(=O)O)C(C)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid?
The InChIKey is PYUXVHMUDDXZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-17(10-9-14(18)19)11(2)15(20)16-12-5-7-13(21-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid?
3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid is sourced from PubChem (CID 82326722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).