N-butan-2-yl-2-methyl-2-(3-methylbutoxy)propanamide;methanol

C14H31NO3 — CID 142410133

IUPACN-butan-2-yl-2-methyl-2-(3-methylbutoxy)propanamide;methanol
SMILESCCC(C)NC(=O)C(C)(C)OCCC(C)C.CO
InChIInChI=1S/C13H27NO2.CH4O/c1-7-11(4)14-12(15)13(5,6)16-9-8-10(2)3;1-2/h10-11H,7-9H2,1-6H3,(H,14,15);2H,1H3
InChIKeyFYJIWXWJUULMEL-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.35
Rot. Bonds7

About N-butan-2-yl-2-methyl-2-(3-methylbutoxy)propanamide;methanol

N-butan-2-yl-2-methyl-2-(3-methylbutoxy)propanamide;methanol (PubChem CID 142410133) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-2-(3-methylbutoxy)propanamide;methanol.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-2-(3-methylbutoxy)propanamide;methanol
PubChem CID142410133
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC NameN-butan-2-yl-2-methyl-2-(3-methylbutoxy)propanamide;methanol
SMILESCCC(C)NC(=O)C(C)(C)OCCC(C)C.CO
InChIInChI=1S/C13H27NO2.CH4O/c1-7-11(4)14-12(15)13(5,6)16-9-8-10(2)3;1-2/h10-11H,7-9H2,1-6H3,(H,14,15);2H,1H3
InChIKeyFYJIWXWJUULMEL-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(3-methylbutoxy)-N-pentan-3-ylpropanamide
CID 146205300
2-methyl-2-(3-methylbutoxy)-N-propan-2-ylpropanamide
CID 155301439
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425
N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
CID 3588417
3-methylbutyl 2-(butan-2-ylamino)acetate
CID 61278693
2-methyl-2,5-bis(3-methylbutoxy)hexane
CID 90290201
N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403
N-butan-2-yl-2-methyl-5-propan-2-yloxyhexanamide
CID 146303110
N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide
CID 3326094
N-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide
CID 19187679
2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 163140442
3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide
CID 63925891

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-2-(3-methylbutoxy)propanamide;methanol?
The IUPAC name of N-butan-2-yl-2-methyl-2-(3-methylbutoxy)propanamide;methanol (CID 142410133) is N-butan-2-yl-2-methyl-2-(3-methylbutoxy)propanamide;methanol.
What is the SMILES notation for N-butan-2-yl-2-methyl-2-(3-methylbutoxy)propanamide;methanol?
The canonical SMILES for N-butan-2-yl-2-methyl-2-(3-methylbutoxy)propanamide;methanol is CCC(C)NC(=O)C(C)(C)OCCC(C)C.CO.
What is the InChIKey of N-butan-2-yl-2-methyl-2-(3-methylbutoxy)propanamide;methanol?
The InChIKey is FYJIWXWJUULMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2.CH4O/c1-7-11(4)14-12(15)13(5,6)16-9-8-10(2)3;1-2/h10-11H,7-9H2,1-6H3,(H,14,15);2H,1H3.
What are the key properties of N-butan-2-yl-2-methyl-2-(3-methylbutoxy)propanamide;methanol?
N-butan-2-yl-2-methyl-2-(3-methylbutoxy)propanamide;methanol has a molecular weight of 261.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-2-(3-methylbutoxy)propanamide;methanol is sourced from PubChem (CID 142410133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).