N-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide

C15H30N2O — CID 81393192

IUPACN-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C15H30N2O/c1-12(13-9-7-5-6-8-10-13)16-11-14(18)17-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18)/t12-/m1/s1
InChIKeyZSGBLPOHENECSQ-GFCCVEGCSA-N
MW254.42 g/mol
LogP2.85
Rot. Bonds4

About N-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide

N-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide (PubChem CID 81393192) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
PubChem CID81393192
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C15H30N2O/c1-12(13-9-7-5-6-8-10-13)16-11-14(18)17-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18)/t12-/m1/s1
InChIKeyZSGBLPOHENECSQ-GFCCVEGCSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(1-cyclobutylethylamino)acetamide
CID 115708515
2-[[(1R)-1-cyclohexylethyl]amino]-N-ethylacetamide
CID 81385685
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393673
2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81393575
tert-butyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81384159
2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide
CID 81393570
tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate
CID 81386235
2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81392535
N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393576
N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide
CID 62407707
2-(1-cyclohexylethylamino)-N-pentan-2-ylacetamide
CID 62406812
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81388594

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide (CID 81393192) is N-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide is C[C@@H](NCC(=O)NC(C)(C)C)C1CCCCCC1.
What is the InChIKey of N-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide?
The InChIKey is ZSGBLPOHENECSQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(13-9-7-5-6-8-10-13)16-11-14(18)17-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18)/t12-/m1/s1.
What are the key properties of N-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide?
N-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide has a molecular weight of 254.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide is sourced from PubChem (CID 81393192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).