4-amino-N-phenylmethoxypentanamide

C12H18N2O2 — CID 64974762

IUPAC4-amino-N-phenylmethoxypentanamide
SMILESCC(N)CCC(=O)NOCc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-10(13)7-8-12(15)14-16-9-11-5-3-2-4-6-11/h2-6,10H,7-9,13H2,1H3,(H,14,15)
InChIKeyNFKWBHREKVAADT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.36
Rot. Bonds6

About 4-amino-N-phenylmethoxypentanamide

4-amino-N-phenylmethoxypentanamide (PubChem CID 64974762) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-N-phenylmethoxypentanamide.

Molecular Properties

Compound Name4-amino-N-phenylmethoxypentanamide
PubChem CID64974762
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-amino-N-phenylmethoxypentanamide
SMILESCC(N)CCC(=O)NOCc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-10(13)7-8-12(15)14-16-9-11-5-3-2-4-6-11/h2-6,10H,7-9,13H2,1H3,(H,14,15)
InChIKeyNFKWBHREKVAADT-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
8-amino-N-phenylmethoxydecanamide;hydrochloride
CID 174601541
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
N-phenylmethoxyhexanamide
CID 60717350
3-methyl-N-phenylmethoxypentanamide
CID 114875336
7-oxo-7-(phenylmethoxyamino)heptanoic acid
CID 57439168
2-ethoxy-N-phenylmethoxyacetamide
CID 60669074
7-amino-N-phenylmethoxyheptanamide
CID 59535540
4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride
CID 120561833
(2S)-2-amino-N-phenyl-N'-phenylmethoxyoctanediamide
CID 72946637
2-amino-4-phenyl-N-phenylmethoxybutanamide
CID 76637297
2-hydroxy-5-methyl-N-phenylmethoxyhexanamide
CID 174417075

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-phenylmethoxypentanamide?
The IUPAC name of 4-amino-N-phenylmethoxypentanamide (CID 64974762) is 4-amino-N-phenylmethoxypentanamide.
What is the SMILES notation for 4-amino-N-phenylmethoxypentanamide?
The canonical SMILES for 4-amino-N-phenylmethoxypentanamide is CC(N)CCC(=O)NOCc1ccccc1.
What is the InChIKey of 4-amino-N-phenylmethoxypentanamide?
The InChIKey is NFKWBHREKVAADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10(13)7-8-12(15)14-16-9-11-5-3-2-4-6-11/h2-6,10H,7-9,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-phenylmethoxypentanamide?
4-amino-N-phenylmethoxypentanamide has a molecular weight of 222.29 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-phenylmethoxypentanamide is sourced from PubChem (CID 64974762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).