N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide

C15H28N2O3 — CID 146263980

IUPACN-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide
SMILESCCC(=O)NC(C(=O)N[C@@H](C)C(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C15H28N2O3/c1-8-11(18)17-12(9(2)3)14(20)16-10(4)13(19)15(5,6)7/h9-10,12H,8H2,1-7H3,(H,16,20)(H,17,18)/t10-,12?/m0/s1
InChIKeyROBUKNVOWSAPHD-NUHJPDEHSA-N
MW284.40 g/mol
LogP1.66
Rot. Bonds6

About N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide

N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide (PubChem CID 146263980) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide.

Molecular Properties

Compound NameN-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide
PubChem CID146263980
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide
SMILESCCC(=O)NC(C(=O)N[C@@H](C)C(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C15H28N2O3/c1-8-11(18)17-12(9(2)3)14(20)16-10(4)13(19)15(5,6)7/h9-10,12H,8H2,1-7H3,(H,16,20)(H,17,18)/t10-,12?/m0/s1
InChIKeyROBUKNVOWSAPHD-NUHJPDEHSA-N
XLogP1.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide
CID 126543294
(2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide
CID 166671320
(4,4-dimethyl-3-oxopentan-2-yl)urea
CID 58728668
2-[[2-[(2-iodoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid
CID 87405364
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
3-methyl-2-(propanoylamino)butanamide
CID 22574980
(2S)-N-[(2S)-1-(ethylamino)-1-oxobut-3-yn-2-yl]-3-methyl-2-(propanoylamino)butanamide
CID 170744863
(2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide
CID 138482618
(2S)-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 10686752
(2S)-2-[[(2S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoyl]amino]propanoic acid
CID 22855171
3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide
CID 142455323
1-(4,4-dimethyl-3-oxopentan-2-yl)-3-[2-(methylamino)ethyl]urea
CID 129026706

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide?
The IUPAC name of N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide (CID 146263980) is N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide.
What is the SMILES notation for N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide?
The canonical SMILES for N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide is CCC(=O)NC(C(=O)N[C@@H](C)C(=O)C(C)(C)C)C(C)C.
What is the InChIKey of N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide?
The InChIKey is ROBUKNVOWSAPHD-NUHJPDEHSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-8-11(18)17-12(9(2)3)14(20)16-10(4)13(19)15(5,6)7/h9-10,12H,8H2,1-7H3,(H,16,20)(H,17,18)/t10-,12?/m0/s1.
What are the key properties of N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide?
N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide has a molecular weight of 284.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide is sourced from PubChem (CID 146263980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).