N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide

C20H24N2O3 — CID 111118110

IUPACN-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide
SMILESCCCC(NC(=O)Cc1ccccc1)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C20H24N2O3/c1-2-7-18(22-19(24)13-15-8-4-3-5-9-15)20(25)21-17-11-6-10-16(12-17)14-23/h3-6,8-12,18,23H,2,7,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyMZUIBMKHQIEEKU-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.64
Rot. Bonds8

About N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide

N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide (PubChem CID 111118110) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide
PubChem CID111118110
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide
SMILESCCCC(NC(=O)Cc1ccccc1)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C20H24N2O3/c1-2-7-18(22-19(24)13-15-8-4-3-5-9-15)20(25)21-17-11-6-10-16(12-17)14-23/h3-6,8-12,18,23H,2,7,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyMZUIBMKHQIEEKU-UHFFFAOYSA-N
XLogP2.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide
CID 119419213
N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride
CID 119419212
N-(6-amino-3-pyridinyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride
CID 119515245
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
(2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide
CID 100698551
2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide
CID 60629921
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide
CID 3305913
N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide
CID 155724825
2-methyl-N-phenylpentanamide
CID 4627801
(2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide
CID 95767147
2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide
CID 56788135

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide (CID 111118110) is N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide is CCCC(NC(=O)Cc1ccccc1)C(=O)Nc1cccc(CO)c1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide?
The InChIKey is MZUIBMKHQIEEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-7-18(22-19(24)13-15-8-4-3-5-9-15)20(25)21-17-11-6-10-16(12-17)14-23/h3-6,8-12,18,23H,2,7,13-14H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide?
N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide has a molecular weight of 340.42 g/mol, XLogP of 2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide is sourced from PubChem (CID 111118110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).