2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide

C17H20N2O2 — CID 107231056

IUPAC2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C17H20N2O2/c18-16(10-13-4-2-1-3-5-13)17(21)19-11-14-6-8-15(12-20)9-7-14/h1-9,16,20H,10-12,18H2,(H,19,21)
InChIKeyMTLYESDJFOUPJY-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.37
Rot. Bonds6

About 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide

2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide (PubChem CID 107231056) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
PubChem CID107231056
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C17H20N2O2/c18-16(10-13-4-2-1-3-5-13)17(21)19-11-14-6-8-15(12-20)9-7-14/h1-9,16,20H,10-12,18H2,(H,19,21)
InChIKeyMTLYESDJFOUPJY-UHFFFAOYSA-N
XLogP1.37
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231146
4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide
CID 119277683
2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119286541
2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide
CID 110483800
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399
(2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384850
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid
CID 91436913
(2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 93428558
4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 5049229

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide (CID 107231056) is 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)NCc1ccc(CO)cc1.
What is the InChIKey of 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide?
The InChIKey is MTLYESDJFOUPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-16(10-13-4-2-1-3-5-13)17(21)19-11-14-6-8-15(12-20)9-7-14/h1-9,16,20H,10-12,18H2,(H,19,21).
What are the key properties of 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide?
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 107231056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).