3-methyl-N-phenylmethoxypentanamide

C13H19NO2 — CID 114875336

IUPAC3-methyl-N-phenylmethoxypentanamide
SMILESCCC(C)CC(=O)NOCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-11(2)9-13(15)14-16-10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,14,15)
InChIKeyBZWCVCBPFGBERX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.67
Rot. Bonds6

About 3-methyl-N-phenylmethoxypentanamide

3-methyl-N-phenylmethoxypentanamide (PubChem CID 114875336) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-methyl-N-phenylmethoxypentanamide.

Molecular Properties

Compound Name3-methyl-N-phenylmethoxypentanamide
PubChem CID114875336
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-methyl-N-phenylmethoxypentanamide
SMILESCCC(C)CC(=O)NOCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-11(2)9-13(15)14-16-10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,14,15)
InChIKeyBZWCVCBPFGBERX-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
2-ethoxy-N-phenylmethoxyacetamide
CID 60669074
4-amino-N-phenylmethoxypentanamide
CID 64974762
2-amino-3-methyl-N-phenylmethoxypentanamide
CID 64974779
[2-hydroxy-4-oxo-4-(phenylmethoxyamino)butyl] acetate
CID 14082372
(2S)-2-[[4-oxo-4-(phenylmethoxyamino)-2-propan-2-ylbutanoyl]amino]propanoic acid
CID 57039338
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
N-phenylmethoxyhexanamide
CID 60717350
benzyl 3,4-dimethylhexanoate
CID 123356915
(3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide
CID 88853307
8-amino-N-phenylmethoxydecanamide;hydrochloride
CID 174601541
(2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide
CID 57147661

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenylmethoxypentanamide?
The IUPAC name of 3-methyl-N-phenylmethoxypentanamide (CID 114875336) is 3-methyl-N-phenylmethoxypentanamide.
What is the SMILES notation for 3-methyl-N-phenylmethoxypentanamide?
The canonical SMILES for 3-methyl-N-phenylmethoxypentanamide is CCC(C)CC(=O)NOCc1ccccc1.
What is the InChIKey of 3-methyl-N-phenylmethoxypentanamide?
The InChIKey is BZWCVCBPFGBERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-11(2)9-13(15)14-16-10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-N-phenylmethoxypentanamide?
3-methyl-N-phenylmethoxypentanamide has a molecular weight of 221.30 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenylmethoxypentanamide is sourced from PubChem (CID 114875336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).