(3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide

C12H25NO2 — CID 97019330

IUPAC(3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide
SMILESCOC[C@H](C)NC(=O)C[C@@H](C)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9(12(3,4)5)7-11(14)13-10(2)8-15-6/h9-10H,7-8H2,1-6H3,(H,13,14)/t9-,10+/m1/s1
InChIKeyOQPPEHNTKPKYFM-ZJUUUORDSA-N
MW215.34 g/mol
LogP2.21
Rot. Bonds5

About (3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide

(3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide (PubChem CID 97019330) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide
PubChem CID97019330
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide
SMILESCOC[C@H](C)NC(=O)C[C@@H](C)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9(12(3,4)5)7-11(14)13-10(2)8-15-6/h9-10H,7-8H2,1-6H3,(H,13,14)/t9-,10+/m1/s1
InChIKeyOQPPEHNTKPKYFM-ZJUUUORDSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide 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

N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide
CID 104873024
N-(4-aminobutan-2-yl)-3,4,4-trimethylpentanamide
CID 63832497
2-(3,3-dimethylbutan-2-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 115627480
5-methoxy-2-(3,4,4-trimethylpentanoylamino)pentanoic acid
CID 81076582
N-(1-methoxypropan-2-yl)-2-[(2-methylpropan-2-yl)oxyamino]acetamide
CID 82723999
tert-butyl (2R)-2-(3,4,4-trimethylpentanoylamino)propanoate
CID 81003612
N-[(2R)-1-methoxypropan-2-yl]-3,3-diphenylpropanamide
CID 7299747
N-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide
CID 82993574
2-cyano-N-(1-methoxypropan-2-yl)acetamide
CID 3371821
2-(2-amino-2-methylpropyl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 66223578
2-(2,2-difluoroethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 115406791
3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106277417

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide?
The IUPAC name of (3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide (CID 97019330) is (3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for (3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide?
The canonical SMILES for (3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide is COC[C@H](C)NC(=O)C[C@@H](C)C(C)(C)C.
What is the InChIKey of (3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide?
The InChIKey is OQPPEHNTKPKYFM-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(12(3,4)5)7-11(14)13-10(2)8-15-6/h9-10H,7-8H2,1-6H3,(H,13,14)/t9-,10+/m1/s1.
What are the key properties of (3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide?
(3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide has a molecular weight of 215.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 97019330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).