2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide

C13H25NO2 — CID 166979510

IUPAC2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide
SMILESC[C@@H](CNC(=O)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C13H25NO2/c1-9(10(15)12(2,3)4)8-14-11(16)13(5,6)7/h9H,8H2,1-7H3,(H,14,16)/t9-/m0/s1
InChIKeyCWFJDNIWJFIKGZ-VIFPVBQESA-N
MW227.35 g/mol
LogP2.40
Rot. Bonds3

About 2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide

2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide (PubChem CID 166979510) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide
PubChem CID166979510
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide
SMILESC[C@@H](CNC(=O)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C13H25NO2/c1-9(10(15)12(2,3)4)8-14-11(16)13(5,6)7/h9H,8H2,1-7H3,(H,14,16)/t9-/m0/s1
InChIKeyCWFJDNIWJFIKGZ-VIFPVBQESA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide
CID 62667449
3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid
CID 66166212
N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 97078266
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 107158412
2,2-dimethyl-N-[2-[(3-methyl-2-propan-2-ylbutyl)amino]-2-oxoethyl]propanamide
CID 102914880
N-(4-bromo-2-methyl-3-oxobutyl)-2,2,2-trifluoroacetamide
CID 104701210
2,2-dimethyl-N-[(4S)-2,2,6-trimethyl-3-oxooctan-4-yl]propanamide
CID 140899931
ethane;N-ethyl-2,2-dimethylpropanamide
CID 142466715
N-(aminomethyl)-2,2-dimethylpropanamide
CID 134421146
N-(2-aminoethyl)-2,2-dimethylpropanamide;hydrochloride
CID 47002886
(2,2-dimethylpropanoylamino)methyl-trifluoroboranuide
CID 91667128

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide (CID 166979510) is 2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide is C[C@@H](CNC(=O)C(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide?
The InChIKey is CWFJDNIWJFIKGZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H25NO2/c1-9(10(15)12(2,3)4)8-14-11(16)13(5,6)7/h9H,8H2,1-7H3,(H,14,16)/t9-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide?
2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide has a molecular weight of 227.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide is sourced from PubChem (CID 166979510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).