2,2-dimethyl-N-[(4S)-2,2,6-trimethyl-3-oxooctan-4-yl]propanamide

C16H31NO2 — CID 140899931

IUPAC2,2-dimethyl-N-[(4S)-2,2,6-trimethyl-3-oxooctan-4-yl]propanamide
SMILESCCC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C16H31NO2/c1-9-11(2)10-12(13(18)15(3,4)5)17-14(19)16(6,7)8/h11-12H,9-10H2,1-8H3,(H,17,19)/t11?,12-/m0/s1
InChIKeyYYFWYZZUBJNJFC-KIYNQFGBSA-N
MW269.43 g/mol
LogP3.57
Rot. Bonds5

About 2,2-dimethyl-N-[(4S)-2,2,6-trimethyl-3-oxooctan-4-yl]propanamide

2,2-dimethyl-N-[(4S)-2,2,6-trimethyl-3-oxooctan-4-yl]propanamide (PubChem CID 140899931) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4S)-2,2,6-trimethyl-3-oxooctan-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4S)-2,2,6-trimethyl-3-oxooctan-4-yl]propanamide
PubChem CID140899931
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2,2-dimethyl-N-[(4S)-2,2,6-trimethyl-3-oxooctan-4-yl]propanamide
SMILESCCC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C16H31NO2/c1-9-11(2)10-12(13(18)15(3,4)5)17-14(19)16(6,7)8/h11-12H,9-10H2,1-8H3,(H,17,19)/t11?,12-/m0/s1
InChIKeyYYFWYZZUBJNJFC-KIYNQFGBSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4S)-2,2,6-trimethyl-3-oxooctan-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(4S)-2,2,6-trimethyl-3-oxooctan-4-yl]propanamide (CID 140899931) is 2,2-dimethyl-N-[(4S)-2,2,6-trimethyl-3-oxooctan-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(4S)-2,2,6-trimethyl-3-oxooctan-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(4S)-2,2,6-trimethyl-3-oxooctan-4-yl]propanamide is CCC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(4S)-2,2,6-trimethyl-3-oxooctan-4-yl]propanamide?
The InChIKey is YYFWYZZUBJNJFC-KIYNQFGBSA-N. The full InChI is InChI=1S/C16H31NO2/c1-9-11(2)10-12(13(18)15(3,4)5)17-14(19)16(6,7)8/h11-12H,9-10H2,1-8H3,(H,17,19)/t11?,12-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(4S)-2,2,6-trimethyl-3-oxooctan-4-yl]propanamide?
2,2-dimethyl-N-[(4S)-2,2,6-trimethyl-3-oxooctan-4-yl]propanamide has a molecular weight of 269.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4S)-2,2,6-trimethyl-3-oxooctan-4-yl]propanamide is sourced from PubChem (CID 140899931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).