2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid

C19H22N2O3 — CID 20689270

IUPAC2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)CCCc1ccncc1
InChIInChI=1S/C19H22N2O3/c22-18(8-4-7-17-9-12-20-13-10-17)21(15-19(23)24)14-11-16-5-2-1-3-6-16/h1-3,5-6,9-10,12-13H,4,7-8,11,14-15H2,(H,23,24)
InChIKeySKILIKQELZAPRU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.56
Rot. Bonds9

About 2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid

2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid (PubChem CID 20689270) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid
PubChem CID20689270
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)CCCc1ccncc1
InChIInChI=1S/C19H22N2O3/c22-18(8-4-7-17-9-12-20-13-10-17)21(15-19(23)24)14-11-16-5-2-1-3-6-16/h1-3,5-6,9-10,12-13H,4,7-8,11,14-15H2,(H,23,24)
InChIKeySKILIKQELZAPRU-UHFFFAOYSA-N
XLogP2.56
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid
CID 119347399
N-ethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 110755648
6-phenyl-1-pyridin-4-ylhexan-3-one
CID 105093114
2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid
CID 119347306
5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
CID 54875421
2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid
CID 119347329
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037
4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid
CID 60892078
2-[9H-fluoren-9-ylmethoxycarbonyl(2-pyridin-4-ylethyl)amino]acetic acid
CID 171703087
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid
CID 54969241
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid?
The IUPAC name of 2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid (CID 20689270) is 2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid?
The canonical SMILES for 2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid is O=C(O)CN(CCc1ccccc1)C(=O)CCCc1ccncc1.
What is the InChIKey of 2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid?
The InChIKey is SKILIKQELZAPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18(8-4-7-17-9-12-20-13-10-17)21(15-19(23)24)14-11-16-5-2-1-3-6-16/h1-3,5-6,9-10,12-13H,4,7-8,11,14-15H2,(H,23,24).
What are the key properties of 2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid?
2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid has a molecular weight of 326.40 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid is sourced from PubChem (CID 20689270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).