N-[(2R,4S)-5-methoxy-2,4-dimethylpentyl]-2,2,4,4-tetramethylpentanamide

C17H35NO2 — CID 139539969

IUPACN-[(2R,4S)-5-methoxy-2,4-dimethylpentyl]-2,2,4,4-tetramethylpentanamide
SMILESCOC[C@@H](C)C[C@@H](C)CNC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H35NO2/c1-13(9-14(2)11-20-8)10-18-15(19)17(6,7)12-16(3,4)5/h13-14H,9-12H2,1-8H3,(H,18,19)/t13-,14+/m1/s1
InChIKeyXUDMWDYEEJSMLF-KGLIPLIRSA-N
MW285.47 g/mol
LogP3.87
Rot. Bonds8

About N-[(2R,4S)-5-methoxy-2,4-dimethylpentyl]-2,2,4,4-tetramethylpentanamide

N-[(2R,4S)-5-methoxy-2,4-dimethylpentyl]-2,2,4,4-tetramethylpentanamide (PubChem CID 139539969) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is N-[(2R,4S)-5-methoxy-2,4-dimethylpentyl]-2,2,4,4-tetramethylpentanamide.

Molecular Properties

Compound NameN-[(2R,4S)-5-methoxy-2,4-dimethylpentyl]-2,2,4,4-tetramethylpentanamide
PubChem CID139539969
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC NameN-[(2R,4S)-5-methoxy-2,4-dimethylpentyl]-2,2,4,4-tetramethylpentanamide
SMILESCOC[C@@H](C)C[C@@H](C)CNC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H35NO2/c1-13(9-14(2)11-20-8)10-18-15(19)17(6,7)12-16(3,4)5/h13-14H,9-12H2,1-8H3,(H,18,19)/t13-,14+/m1/s1
InChIKeyXUDMWDYEEJSMLF-KGLIPLIRSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide
CID 135293023
methyl N-(3-methoxy-2-methylpropyl)carbamate
CID 115593989
N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide
CID 114313422
3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide
CID 115426751
N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide
CID 177062288
2,2,4,4-tetramethyl-N-propylpentanamide
CID 144742473
2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide
CID 91448158
1-ethyl-3-(3-methoxy-2-methylpropyl)urea
CID 115593972
2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65221880
2-amino-3-methoxy-N-(3-methoxy-2-methylpropyl)propanamide
CID 81089502
3-[(3-methoxy-2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898277
2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide
CID 79811130

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-5-methoxy-2,4-dimethylpentyl]-2,2,4,4-tetramethylpentanamide?
The IUPAC name of N-[(2R,4S)-5-methoxy-2,4-dimethylpentyl]-2,2,4,4-tetramethylpentanamide (CID 139539969) is N-[(2R,4S)-5-methoxy-2,4-dimethylpentyl]-2,2,4,4-tetramethylpentanamide.
What is the SMILES notation for N-[(2R,4S)-5-methoxy-2,4-dimethylpentyl]-2,2,4,4-tetramethylpentanamide?
The canonical SMILES for N-[(2R,4S)-5-methoxy-2,4-dimethylpentyl]-2,2,4,4-tetramethylpentanamide is COC[C@@H](C)C[C@@H](C)CNC(=O)C(C)(C)CC(C)(C)C.
What is the InChIKey of N-[(2R,4S)-5-methoxy-2,4-dimethylpentyl]-2,2,4,4-tetramethylpentanamide?
The InChIKey is XUDMWDYEEJSMLF-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H35NO2/c1-13(9-14(2)11-20-8)10-18-15(19)17(6,7)12-16(3,4)5/h13-14H,9-12H2,1-8H3,(H,18,19)/t13-,14+/m1/s1.
What are the key properties of N-[(2R,4S)-5-methoxy-2,4-dimethylpentyl]-2,2,4,4-tetramethylpentanamide?
N-[(2R,4S)-5-methoxy-2,4-dimethylpentyl]-2,2,4,4-tetramethylpentanamide has a molecular weight of 285.47 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-5-methoxy-2,4-dimethylpentyl]-2,2,4,4-tetramethylpentanamide is sourced from PubChem (CID 139539969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).