N-[(2S)-1-acetamido-4-methyl-3-oxopentan-2-yl]-2-methylpropanamide

C12H22N2O3 — CID 168749459

IUPACN-[(2S)-1-acetamido-4-methyl-3-oxopentan-2-yl]-2-methylpropanamide
SMILESCC(=O)NC[C@H](NC(=O)C(C)C)C(=O)C(C)C
InChIInChI=1S/C12H22N2O3/c1-7(2)11(16)10(6-13-9(5)15)14-12(17)8(3)4/h7-8,10H,6H2,1-5H3,(H,13,15)(H,14,17)/t10-/m0/s1
InChIKeySVDGKPNEABTBHV-JTQLQIEISA-N
MW242.32 g/mol
LogP0.49
Rot. Bonds6

About N-[(2S)-1-acetamido-4-methyl-3-oxopentan-2-yl]-2-methylpropanamide

N-[(2S)-1-acetamido-4-methyl-3-oxopentan-2-yl]-2-methylpropanamide (PubChem CID 168749459) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[(2S)-1-acetamido-4-methyl-3-oxopentan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-acetamido-4-methyl-3-oxopentan-2-yl]-2-methylpropanamide
PubChem CID168749459
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[(2S)-1-acetamido-4-methyl-3-oxopentan-2-yl]-2-methylpropanamide
SMILESCC(=O)NC[C@H](NC(=O)C(C)C)C(=O)C(C)C
InChIInChI=1S/C12H22N2O3/c1-7(2)11(16)10(6-13-9(5)15)14-12(17)8(3)4/h7-8,10H,6H2,1-5H3,(H,13,15)(H,14,17)/t10-/m0/s1
InChIKeySVDGKPNEABTBHV-JTQLQIEISA-N
XLogP0.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide
CID 101104048
2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide
CID 90165359
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide
CID 58841973
ethane;N-(2-methylpropyl)acetamide
CID 142232237
N-(2-methoxypropyl)acetamide
CID 90876780
N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide
CID 142343906
ethyl (2S)-3-acetamido-2-methylpropanoate
CID 15606037
N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-2-methylpropanamide
CID 159866906
N-(2,3-dihydroxybutyl)acetamide
CID 91533638
N-(aminomethyl)-2-methylpropanamide
CID 88582106
2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide
CID 90262242

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-acetamido-4-methyl-3-oxopentan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-1-acetamido-4-methyl-3-oxopentan-2-yl]-2-methylpropanamide (CID 168749459) is N-[(2S)-1-acetamido-4-methyl-3-oxopentan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-1-acetamido-4-methyl-3-oxopentan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-1-acetamido-4-methyl-3-oxopentan-2-yl]-2-methylpropanamide is CC(=O)NC[C@H](NC(=O)C(C)C)C(=O)C(C)C.
What is the InChIKey of N-[(2S)-1-acetamido-4-methyl-3-oxopentan-2-yl]-2-methylpropanamide?
The InChIKey is SVDGKPNEABTBHV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O3/c1-7(2)11(16)10(6-13-9(5)15)14-12(17)8(3)4/h7-8,10H,6H2,1-5H3,(H,13,15)(H,14,17)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-acetamido-4-methyl-3-oxopentan-2-yl]-2-methylpropanamide?
N-[(2S)-1-acetamido-4-methyl-3-oxopentan-2-yl]-2-methylpropanamide has a molecular weight of 242.32 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-acetamido-4-methyl-3-oxopentan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 168749459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).