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

C13H28N2O — CID 61463653

IUPAC2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide
SMILESCCC(C)C(C)NC(C)C(=O)NCC(C)C
InChIInChI=1S/C13H28N2O/c1-7-10(4)11(5)15-12(6)13(16)14-8-9(2)3/h9-12,15H,7-8H2,1-6H3,(H,14,16)
InChIKeyFJCPDYVSMVTUDC-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.17
Rot. Bonds7

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

2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide (PubChem CID 61463653) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide
PubChem CID61463653
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide
SMILESCCC(C)C(C)NC(C)C(=O)NCC(C)C
InChIInChI=1S/C13H28N2O/c1-7-10(4)11(5)15-12(6)13(16)14-8-9(2)3/h9-12,15H,7-8H2,1-6H3,(H,14,16)
InChIKeyFJCPDYVSMVTUDC-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide
CID 43087775
N-carbamoyl-2-(3-methylpentan-2-ylamino)propanamide
CID 61463420
N-(2-methylpropyl)-2-(pentan-2-ylamino)propanamide
CID 43087379
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 106190666
N-cyclopentyl-2-(3-methylpentan-2-ylamino)propanamide
CID 54950797
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81393775
2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide
CID 116657715
2-[[(1R)-1-cyclohexylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81385143
methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate
CID 116657710
N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63705951
methyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate
CID 79391217
2-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)propanamide
CID 112684467

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide (CID 61463653) is 2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide is CCC(C)C(C)NC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide?
The InChIKey is FJCPDYVSMVTUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-7-10(4)11(5)15-12(6)13(16)14-8-9(2)3/h9-12,15H,7-8H2,1-6H3,(H,14,16).
What are the key properties of 2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide?
2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 61463653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).