2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide

C12H26N2O2 — CID 115711311

IUPAC2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide
SMILESCCC(COC)NC(C(=O)N(C)C)C(C)C
InChIInChI=1S/C12H26N2O2/c1-7-10(8-16-6)13-11(9(2)3)12(15)14(4)5/h9-11,13H,7-8H2,1-6H3
InChIKeyIPYCSDRMQRWQFP-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.11
Rot. Bonds7

About 2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide

2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide (PubChem CID 115711311) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide.

Molecular Properties

Compound Name2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide
PubChem CID115711311
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide
SMILESCCC(COC)NC(C(=O)N(C)C)C(C)C
InChIInChI=1S/C12H26N2O2/c1-7-10(8-16-6)13-11(9(2)3)12(15)14(4)5/h9-11,13H,7-8H2,1-6H3
InChIKeyIPYCSDRMQRWQFP-UHFFFAOYSA-N
XLogP1.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide
CID 115711313
N,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide
CID 115711305
2-(ethylamino)-N,N,3-trimethylbutanamide
CID 143168828
N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide
CID 129041586
N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
N-(1-methoxybutan-2-yl)propanamide
CID 64590697
N-(1-methoxybutan-2-yl)hydroxylamine
CID 54458429
(2R)-2-amino-N-(1-methoxybutan-2-yl)-3-methylbutanamide
CID 79012417
4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83206989
2-(1-methoxybutan-2-yl)-1,1-dimethylhydrazine
CID 83007335
2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid
CID 103389621
1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea
CID 111506608

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide?
The IUPAC name of 2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide (CID 115711311) is 2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide.
What is the SMILES notation for 2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide?
The canonical SMILES for 2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide is CCC(COC)NC(C(=O)N(C)C)C(C)C.
What is the InChIKey of 2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide?
The InChIKey is IPYCSDRMQRWQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-7-10(8-16-6)13-11(9(2)3)12(15)14(4)5/h9-11,13H,7-8H2,1-6H3.
What are the key properties of 2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide?
2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide is sourced from PubChem (CID 115711311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).