N-(butan-2-yloxymethyl)-N-phenylacetamide

C13H19NO2 — CID 11117602

IUPACN-(butan-2-yloxymethyl)-N-phenylacetamide
SMILESCCC(C)OCN(C(C)=O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-4-11(2)16-10-14(12(3)15)13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3
InChIKeyDNLWMBIHVONOHM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.81
Rot. Bonds5

About N-(butan-2-yloxymethyl)-N-phenylacetamide

N-(butan-2-yloxymethyl)-N-phenylacetamide (PubChem CID 11117602) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(butan-2-yloxymethyl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(butan-2-yloxymethyl)-N-phenylacetamide
PubChem CID11117602
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(butan-2-yloxymethyl)-N-phenylacetamide
SMILESCCC(C)OCN(C(C)=O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-4-11(2)16-10-14(12(3)15)13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3
InChIKeyDNLWMBIHVONOHM-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
N-phenyl-N-(prop-2-ynoxymethyl)acetamide
CID 163468588
N-(bromomethyl)-N-phenylacetamide
CID 67904201
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide
CID 113057161
N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide
CID 66617334
N-[3-(diethoxymethylsilyl)propyl]-N-phenylacetamide
CID 150288598
2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid
CID 23221364
N-hexyl-N-phenylacetamide
CID 13217997
CID 146162510
CID 146162510
N-(2-methylbutyl)-N-phenylcarbamate
CID 21460549
2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide
CID 54829924

Frequently Asked Questions

What is the IUPAC name of N-(butan-2-yloxymethyl)-N-phenylacetamide?
The IUPAC name of N-(butan-2-yloxymethyl)-N-phenylacetamide (CID 11117602) is N-(butan-2-yloxymethyl)-N-phenylacetamide.
What is the SMILES notation for N-(butan-2-yloxymethyl)-N-phenylacetamide?
The canonical SMILES for N-(butan-2-yloxymethyl)-N-phenylacetamide is CCC(C)OCN(C(C)=O)c1ccccc1.
What is the InChIKey of N-(butan-2-yloxymethyl)-N-phenylacetamide?
The InChIKey is DNLWMBIHVONOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-11(2)16-10-14(12(3)15)13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3.
What are the key properties of N-(butan-2-yloxymethyl)-N-phenylacetamide?
N-(butan-2-yloxymethyl)-N-phenylacetamide has a molecular weight of 221.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-yloxymethyl)-N-phenylacetamide is sourced from PubChem (CID 11117602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).