2-amino-3-methyl-N-phenylmethoxypentanamide

C13H20N2O2 — CID 64974779

IUPAC2-amino-3-methyl-N-phenylmethoxypentanamide
SMILESCCC(C)C(N)C(=O)NOCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-10(2)12(14)13(16)15-17-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9,14H2,1-2H3,(H,15,16)
InChIKeyKJPOXMGPRKLCPG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds6

About 2-amino-3-methyl-N-phenylmethoxypentanamide

2-amino-3-methyl-N-phenylmethoxypentanamide (PubChem CID 64974779) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-3-methyl-N-phenylmethoxypentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-phenylmethoxypentanamide
PubChem CID64974779
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-3-methyl-N-phenylmethoxypentanamide
SMILESCCC(C)C(N)C(=O)NOCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-10(2)12(14)13(16)15-17-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9,14H2,1-2H3,(H,15,16)
InChIKeyKJPOXMGPRKLCPG-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
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

(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
benzyl (2S)-2-amino-3-methylpentanoate;hydrochloride
CID 14074460
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide
CID 4599499
2-bromo-3-methyl-N-phenylmethoxybutanamide
CID 64974144
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
2-amino-4-phenyl-N-phenylmethoxybutanamide
CID 76637297
2-amino-2-phenyl-N-phenylmethoxyacetamide
CID 64974988
(2S,3S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide;hydrochloride
CID 118816009
2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride
CID 119772630
2-hydroxy-5-methyl-N-phenylmethoxyhexanamide
CID 174417075
3-methyl-N-phenylmethoxypentanamide
CID 114875336

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-phenylmethoxypentanamide?
The IUPAC name of 2-amino-3-methyl-N-phenylmethoxypentanamide (CID 64974779) is 2-amino-3-methyl-N-phenylmethoxypentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-phenylmethoxypentanamide?
The canonical SMILES for 2-amino-3-methyl-N-phenylmethoxypentanamide is CCC(C)C(N)C(=O)NOCc1ccccc1.
What is the InChIKey of 2-amino-3-methyl-N-phenylmethoxypentanamide?
The InChIKey is KJPOXMGPRKLCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-10(2)12(14)13(16)15-17-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3-methyl-N-phenylmethoxypentanamide?
2-amino-3-methyl-N-phenylmethoxypentanamide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-phenylmethoxypentanamide is sourced from PubChem (CID 64974779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).