2-amino-N-(3-methoxypropyl)-4-methylpentanamide

C10H22N2O2 — CID 22170060

IUPAC2-amino-N-(3-methoxypropyl)-4-methylpentanamide
SMILESCOCCCNC(=O)C(N)CC(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)7-9(11)10(13)12-5-4-6-14-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyOFMZCZSZMNYBTE-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.51
Rot. Bonds7

About 2-amino-N-(3-methoxypropyl)-4-methylpentanamide

2-amino-N-(3-methoxypropyl)-4-methylpentanamide (PubChem CID 22170060) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-amino-N-(3-methoxypropyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(3-methoxypropyl)-4-methylpentanamide
PubChem CID22170060
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-amino-N-(3-methoxypropyl)-4-methylpentanamide
SMILESCOCCCNC(=O)C(N)CC(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)7-9(11)10(13)12-5-4-6-14-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyOFMZCZSZMNYBTE-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 61275418
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
(2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide
CID 118216551
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
CID 81089350
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119695009
2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide
CID 62476611
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide
CID 61155391
(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide
CID 61163445
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methoxypropyl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(3-methoxypropyl)-4-methylpentanamide (CID 22170060) is 2-amino-N-(3-methoxypropyl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(3-methoxypropyl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(3-methoxypropyl)-4-methylpentanamide is COCCCNC(=O)C(N)CC(C)C.
What is the InChIKey of 2-amino-N-(3-methoxypropyl)-4-methylpentanamide?
The InChIKey is OFMZCZSZMNYBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(2)7-9(11)10(13)12-5-4-6-14-3/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-amino-N-(3-methoxypropyl)-4-methylpentanamide?
2-amino-N-(3-methoxypropyl)-4-methylpentanamide has a molecular weight of 202.30 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methoxypropyl)-4-methylpentanamide is sourced from PubChem (CID 22170060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).