3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide

C12H26N2O — CID 115724429

IUPAC3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)NC(C)C(C)C
InChIInChI=1S/C12H26N2O/c1-8(2)11(6)14-10(5)7-12(15)13-9(3)4/h8-11,14H,7H2,1-6H3,(H,13,15)
InChIKeyIFXHHXJBVUPEFN-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.92
Rot. Bonds6

About 3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide

3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide (PubChem CID 115724429) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide
PubChem CID115724429
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)NC(C)C(C)C
InChIInChI=1S/C12H26N2O/c1-8(2)11(6)14-10(5)7-12(15)13-9(3)4/h8-11,14H,7H2,1-6H3,(H,13,15)
InChIKeyIFXHHXJBVUPEFN-UHFFFAOYSA-N
XLogP1.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-propan-2-ylpentanamide
CID 153056975
3-(hexan-3-ylamino)-N-propan-2-ylbutanamide
CID 115905985
3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide
CID 115724442
3,3-difluoro-N-propan-2-ylpropanamide
CID 177328037
(3R)-3-hydroxy-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 89065731
methyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]amino]butan-2-yl]carbamate
CID 58185364
N'-propan-2-yl-2-(propan-2-ylamino)butanediamide
CID 66431400
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 60691190
(3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide
CID 97095456
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
(2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol
CID 93082740
3-cyano-N-propan-2-ylbutanamide
CID 82111212

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide?
The IUPAC name of 3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide (CID 115724429) is 3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide?
The canonical SMILES for 3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide is CC(C)NC(=O)CC(C)NC(C)C(C)C.
What is the InChIKey of 3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide?
The InChIKey is IFXHHXJBVUPEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-8(2)11(6)14-10(5)7-12(15)13-9(3)4/h8-11,14H,7H2,1-6H3,(H,13,15).
What are the key properties of 3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide?
3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 115724429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).