(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide

C12H26N2O2 — CID 104904081

IUPAC(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
SMILESCC(C)COCCNC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)7-11(13)12(15)14-5-6-16-8-10(3)4/h9-11H,5-8,13H2,1-4H3,(H,14,15)/t11-/m1/s1
InChIKeyBNSGGMWADXEWNM-LLVKDONJSA-N
MW230.35 g/mol
LogP1.15
Rot. Bonds8

About (2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide

(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide (PubChem CID 104904081) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
PubChem CID104904081
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
SMILESCC(C)COCCNC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)7-11(13)12(15)14-5-6-16-8-10(3)4/h9-11H,5-8,13H2,1-4H3,(H,14,15)/t11-/m1/s1
InChIKeyBNSGGMWADXEWNM-LLVKDONJSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353
(2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide
CID 119803206
2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551
(2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 103832967
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
(2S)-2-amino-4-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 61275418
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119695009
N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588549
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride
CID 158547627
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide
CID 61155391
2-amino-4-methyl-N-[2-[2-[2-[4-(2-methylprop-2-enoylamino)butylamino]-2-oxoethoxy]ethoxy]ethyl]pentanamide
CID 163793163

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide (CID 104904081) is (2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide is CC(C)COCCNC(=O)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide?
The InChIKey is BNSGGMWADXEWNM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(2)7-11(13)12(15)14-5-6-16-8-10(3)4/h9-11H,5-8,13H2,1-4H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide?
(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide has a molecular weight of 230.35 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide is sourced from PubChem (CID 104904081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).