N-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide

C10H21NO2 — CID 3283275

IUPACN-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide
SMILESCOCC(C)NC(=O)CC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-8(7-13-5)11-9(12)6-10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyUHJLJTSADQFQQB-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.57
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide

N-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide (PubChem CID 3283275) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide
PubChem CID3283275
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide
SMILESCOCC(C)NC(=O)CC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-8(7-13-5)11-9(12)6-10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyUHJLJTSADQFQQB-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl [(3,3-dimethylbutanoyl)amino]acetate
CID 2818291
N-acetyl t-leucine methyl ester
CID 11240891
3-fluoro-N-[(2R)-3-methoxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide
CID 89694403
2,2-difluoro-3,3-dimethyl-N-(oxetan-3-yl)butanamide
CID 167208620
2,2-dimethyl-N-[(2S)-1-(trifluoromethoxy)propan-2-yl]propanamide
CID 168082203
3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
CID 78846849
Methyl 2-acetamido-3,3-dimethylbutanoate
CID 15042681
N-(2-methoxyethyl)-2,2-dimethylpropanamide
CID 4074454
N-(2-methoxyethyl)-3-methylbutanamide
CID 4370201
3,3-dimethyl-N-propan-2-ylbutanamide
CID 4628264
2,2-dimethyl-N-propan-2-ylbutanamide
CID 4628265
N-(2-methoxyethyl)-3,3-dimethylbutanamide
CID 4628761

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide (CID 3283275) is N-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide is COCC(C)NC(=O)CC(C)(C)C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide?
The InChIKey is UHJLJTSADQFQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(7-13-5)11-9(12)6-10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12).
What are the key properties of N-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide?
N-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide has a molecular weight of 187.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 3283275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).