N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide

C11H21NO2 — CID 58841973

IUPACN-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)6-10(12-9(5)13)11(14)8(3)4/h7-8,10H,6H2,1-5H3,(H,12,13)/t10-/m0/s1
InChIKeyRNNBDIUTMWQHKJ-JTQLQIEISA-N
MW199.29 g/mol
LogP1.76
Rot. Bonds5

About N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide

N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide (PubChem CID 58841973) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide
PubChem CID58841973
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)6-10(12-9(5)13)11(14)8(3)4/h7-8,10H,6H2,1-5H3,(H,12,13)/t10-/m0/s1
InChIKeyRNNBDIUTMWQHKJ-JTQLQIEISA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
N-(2,6-dimethyl-3-oxoheptan-4-yl)-2-methylpropan(18O)amide
CID 89459386
2,6-dimethyl-4-(propan-2-ylamino)heptan-3-one
CID 18739782
2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid
CID 7009642
(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 54018653
methyl (2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]propanoate
CID 28963905
(2S)-2-[[(2S)-2-(acetyl(15N)amino)-3-(113C)methyl(1,2,3,4-13C4)butanoyl]amino]-4-(113C)methyl(1,2,3,4,5-13C5)pentanoic acid
CID 117064517
methyl (2R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]propanoate
CID 28963903
N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide
CID 19002966
N-[(1S)-1-amino-3-methylbutyl]acetamide
CID 58319717
methyl (2S)-2-[[(2S)-2-[[(2R)-2-acetamido-4-methylpentanoyl]amino]propanoyl]amino]propanoate
CID 46867428
2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid
CID 65442972

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide?
The IUPAC name of N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide (CID 58841973) is N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide.
What is the SMILES notation for N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide?
The canonical SMILES for N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide is CC(=O)N[C@@H](CC(C)C)C(=O)C(C)C.
What is the InChIKey of N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide?
The InChIKey is RNNBDIUTMWQHKJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(2)6-10(12-9(5)13)11(14)8(3)4/h7-8,10H,6H2,1-5H3,(H,12,13)/t10-/m0/s1.
What are the key properties of N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide?
N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide has a molecular weight of 199.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide is sourced from PubChem (CID 58841973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).