2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide

C12H26N2O — CID 43087775

IUPAC2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NC(C)C(C)C
InChIInChI=1S/C12H26N2O/c1-8(2)7-13-12(15)11(6)14-10(5)9(3)4/h8-11,14H,7H2,1-6H3,(H,13,15)
InChIKeyCQGYCPSVFKCZSR-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.78
Rot. Bonds6

About 2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide

2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide (PubChem CID 43087775) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide
PubChem CID43087775
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NC(C)C(C)C
InChIInChI=1S/C12H26N2O/c1-8(2)7-13-12(15)11(6)14-10(5)9(3)4/h8-11,14H,7H2,1-6H3,(H,13,15)
InChIKeyCQGYCPSVFKCZSR-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide
CID 61463653
2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide
CID 116657715
N-(2-methylpropyl)-2-(pentan-2-ylamino)propanamide
CID 43087379
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81393775
2-[[(1R)-1-cyclohexylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81385143
N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63705951
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 106190666
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
2-(3-methylbutylamino)-N-(2-methylpropyl)propanamide
CID 43086968
N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide
CID 116657699
methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate
CID 116657710
2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide
CID 43089259

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide (CID 43087775) is 2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NC(C)C(C)C.
What is the InChIKey of 2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide?
The InChIKey is CQGYCPSVFKCZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-8(2)7-13-12(15)11(6)14-10(5)9(3)4/h8-11,14H,7H2,1-6H3,(H,13,15).
What are the key properties of 2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide?
2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide has a molecular weight of 214.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 43087775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).