3-phenylmethoxypentanamide

C12H17NO2 — CID 53427505

IUPAC3-phenylmethoxypentanamide
SMILESCCC(CC(N)=O)OCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-11(8-12(13)14)15-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H2,13,14)
InChIKeyBKQJGOOIDDTWAW-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.86
Rot. Bonds6

About 3-phenylmethoxypentanamide

3-phenylmethoxypentanamide (PubChem CID 53427505) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-phenylmethoxypentanamide.

Molecular Properties

Compound Name3-phenylmethoxypentanamide
PubChem CID53427505
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-phenylmethoxypentanamide
SMILESCCC(CC(N)=O)OCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-11(8-12(13)14)15-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H2,13,14)
InChIKeyBKQJGOOIDDTWAW-UHFFFAOYSA-N
XLogP1.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(Benzyloxy)-3-hydroxybutanamide
CID 561070
3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid
CID 59311
3-Methyl-3-phenyloxirane-2-carboximidic acid
CID 32382
2-(Benzyloxy)propanamide
CID 344960
2-Methoxy-2-phenylacetamide
CID 344721
3-Hydroxy-3-phenylpropionamide
CID 231309
Benzyl 6-aminohexanoate
CID 3484395
Oxiranecarboxamide, 3-phenyl-, (2R,3S)-rel-
CID 10931765
1-Phenylmethoxyheptan-3-one
CID 131115309
3-[(3,4-Difluorophenyl)methoxy]butanamide
CID 91805047
(4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide
CID 11118838
2-[(S)-methoxy(phenyl)methyl]prop-2-enamide
CID 101229694

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxypentanamide?
The IUPAC name of 3-phenylmethoxypentanamide (CID 53427505) is 3-phenylmethoxypentanamide.
What is the SMILES notation for 3-phenylmethoxypentanamide?
The canonical SMILES for 3-phenylmethoxypentanamide is CCC(CC(N)=O)OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxypentanamide?
The InChIKey is BKQJGOOIDDTWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-11(8-12(13)14)15-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H2,13,14).
What are the key properties of 3-phenylmethoxypentanamide?
3-phenylmethoxypentanamide has a molecular weight of 207.27 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxypentanamide is sourced from PubChem (CID 53427505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).