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

C17H20N2O2 — CID 103823770

IUPAC3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
SMILESNC(CC(=O)NCc1cccc(CO)c1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c18-16(15-7-2-1-3-8-15)10-17(21)19-11-13-5-4-6-14(9-13)12-20/h1-9,16,20H,10-12,18H2,(H,19,21)
InChIKeyFMVYJTUHNYOFPN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.89
Rot. Bonds6

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

3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide (PubChem CID 103823770) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
PubChem CID103823770
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
SMILESNC(CC(=O)NCc1cccc(CO)c1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c18-16(15-7-2-1-3-8-15)10-17(21)19-11-13-5-4-6-14(9-13)12-20/h1-9,16,20H,10-12,18H2,(H,19,21)
InChIKeyFMVYJTUHNYOFPN-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43208733
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
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4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide
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3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750
3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 114181945
N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide
CID 119950296
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595
4-amino-N-[(3-fluorophenyl)methyl]-4-phenylbutanamide
CID 63324328
4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide
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3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119952941
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CID 107210221

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide (CID 103823770) is 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide is NC(CC(=O)NCc1cccc(CO)c1)c1ccccc1.
What is the InChIKey of 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide?
The InChIKey is FMVYJTUHNYOFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-16(15-7-2-1-3-8-15)10-17(21)19-11-13-5-4-6-14(9-13)12-20/h1-9,16,20H,10-12,18H2,(H,19,21).
What are the key properties of 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide?
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 103823770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).