N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide

C13H28N2O — CID 43372165

IUPACN-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide
SMILESCC(C)CC(C)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-9(2)8-10(3)14-11(4)12(16)15-13(5,6)7/h9-11,14H,8H2,1-7H3,(H,15,16)
InChIKeyKRVCZZBPTFTLCW-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.31
Rot. Bonds5

About N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide

N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide (PubChem CID 43372165) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide
PubChem CID43372165
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide
SMILESCC(C)CC(C)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-9(2)8-10(3)14-11(4)12(16)15-13(5,6)7/h9-11,14H,8H2,1-7H3,(H,15,16)
InChIKeyKRVCZZBPTFTLCW-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide
CID 61246884
(2R)-N-methyl-2-(4-methylpentan-2-ylamino)propanamide
CID 103932028
N-tert-butyl-2-(propan-2-ylamino)propanamide
CID 43086719
N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372144
N-tert-butyl-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43214867
3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
CID 113406989
N-tert-butyl-2-(1-cyclopropylethylamino)propanamide
CID 43401275
N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide
CID 54958672
N-tert-butyl-2-(heptan-3-ylamino)propanamide
CID 115714332
N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372145
N-tert-butyl-2-(2-methylbutan-2-ylamino)propanamide
CID 43087431
N-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide
CID 103520500

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide (CID 43372165) is N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide is CC(C)CC(C)NC(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide?
The InChIKey is KRVCZZBPTFTLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-9(2)8-10(3)14-11(4)12(16)15-13(5,6)7/h9-11,14H,8H2,1-7H3,(H,15,16).
What are the key properties of N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide?
N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide is sourced from PubChem (CID 43372165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).