2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide

C16H30N2O2 — CID 145466463

IUPAC2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide
SMILESCNC(=O)C(NC(=O)CC1CCCCCC1)C(C)(C)C
InChIInChI=1S/C16H30N2O2/c1-16(2,3)14(15(20)17-4)18-13(19)11-12-9-7-5-6-8-10-12/h12,14H,5-11H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyIMFFTGSTGBKSOJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.62
Rot. Bonds4

About 2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide

2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide (PubChem CID 145466463) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide
PubChem CID145466463
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide
SMILESCNC(=O)C(NC(=O)CC1CCCCCC1)C(C)(C)C
InChIInChI=1S/C16H30N2O2/c1-16(2,3)14(15(20)17-4)18-13(19)11-12-9-7-5-6-8-10-12/h12,14H,5-11H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyIMFFTGSTGBKSOJ-UHFFFAOYSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid
CID 104928854
2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane
CID 145466352
(2R)-2-[(2-cyclobutylacetyl)amino]-3,3-dimethylbutanoic acid
CID 103162147
2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 51103870
2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid
CID 43467501
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide
CID 106356110
(2S)-2-(3-cyclohexylpropanoylamino)-3,3-dimethylbutanoic acid
CID 61143658
N-(1-amino-4,4-dimethylpentan-3-yl)-2-cyclopentylacetamide
CID 114178189
cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide
CID 145466562
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate
CID 103822349
2-cyclobutyl-N-methylacetamide
CID 57296172

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide?
The IUPAC name of 2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide (CID 145466463) is 2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide is CNC(=O)C(NC(=O)CC1CCCCCC1)C(C)(C)C.
What is the InChIKey of 2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide?
The InChIKey is IMFFTGSTGBKSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,3)14(15(20)17-4)18-13(19)11-12-9-7-5-6-8-10-12/h12,14H,5-11H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide?
2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide has a molecular weight of 282.43 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 145466463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).