N-(phenylmethoxymethyl)acetamide

C10H13NO2 — CID 91608192

IUPACN-(phenylmethoxymethyl)acetamide
SMILESCC(=O)NCOCc1ccccc1
InChIInChI=1S/C10H13NO2/c1-9(12)11-8-13-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)
InChIKeyXMLRPNRPNHBLJO-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.30
Rot. Bonds4

About N-(phenylmethoxymethyl)acetamide

N-(phenylmethoxymethyl)acetamide (PubChem CID 91608192) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(phenylmethoxymethyl)acetamide.

Molecular Properties

Compound NameN-(phenylmethoxymethyl)acetamide
PubChem CID91608192
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-(phenylmethoxymethyl)acetamide
SMILESCC(=O)NCOCc1ccccc1
InChIInChI=1S/C10H13NO2/c1-9(12)11-8-13-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)
InChIKeyXMLRPNRPNHBLJO-UHFFFAOYSA-N
XLogP1.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

acetic acid;phenylmethoxymethylbenzene
CID 175214238
ethane;2-(phenylmethoxymethylamino)acetic acid
CID 145078900
methoxymethylbenzene;methyl acetate
CID 54330728
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide
CID 143126670
N-[2-[(4-benzylphenyl)methoxymethylamino]-2-oxoethyl]-2-[[2-[[2-[(2-bromoacetyl)amino]acetyl]amino]acetyl]amino]acetamide
CID 174280501
N-(1-phenyl-2-phenylmethoxyethyl)acetamide
CID 75373023
ethane;phenylmethoxymethylbenzene
CID 90943549
benzyl acetate
CID 8785
(2S)-2-acetamido-4-phenylmethoxybutanoic acid
CID 129322933
2-phenylmethoxyethyl 3-oxobutanoate
CID 14025141
acetic acid;butoxymethylbenzene
CID 139463153

Frequently Asked Questions

What is the IUPAC name of N-(phenylmethoxymethyl)acetamide?
The IUPAC name of N-(phenylmethoxymethyl)acetamide (CID 91608192) is N-(phenylmethoxymethyl)acetamide.
What is the SMILES notation for N-(phenylmethoxymethyl)acetamide?
The canonical SMILES for N-(phenylmethoxymethyl)acetamide is CC(=O)NCOCc1ccccc1.
What is the InChIKey of N-(phenylmethoxymethyl)acetamide?
The InChIKey is XMLRPNRPNHBLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-9(12)11-8-13-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12).
What are the key properties of N-(phenylmethoxymethyl)acetamide?
N-(phenylmethoxymethyl)acetamide has a molecular weight of 179.22 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylmethoxymethyl)acetamide is sourced from PubChem (CID 91608192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).