N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide

C12H17NO3 — CID 110924169

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCc1ccccc1CO
InChIInChI=1S/C12H17NO3/c1-16-7-6-12(15)13-8-10-4-2-3-5-11(10)9-14/h2-5,14H,6-9H2,1H3,(H,13,15)
InChIKeyPPOYPXZQGHNKEV-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.83
Rot. Bonds6

About N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide

N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide (PubChem CID 110924169) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide
PubChem CID110924169
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCc1ccccc1CO
InChIInChI=1S/C12H17NO3/c1-16-7-6-12(15)13-8-10-4-2-3-5-11(10)9-14/h2-5,14H,6-9H2,1H3,(H,13,15)
InChIKeyPPOYPXZQGHNKEV-UHFFFAOYSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide
CID 110909074
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110902384
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110480436
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
3-cyclopentyl-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110902468
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 126520228
N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926036
tert-butyl N-[2-[2-[(3-methoxypropanoylamino)methyl]anilino]-2-oxoethyl]carbamate
CID 108918087
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide (CID 110924169) is N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide is COCCC(=O)NCc1ccccc1CO.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide?
The InChIKey is PPOYPXZQGHNKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-16-7-6-12(15)13-8-10-4-2-3-5-11(10)9-14/h2-5,14H,6-9H2,1H3,(H,13,15).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide has a molecular weight of 223.27 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide is sourced from PubChem (CID 110924169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).