N-[(1S,2S)-2-ethylcycloheptyl]acetamide

C11H21NO — CID 668218

IUPACN-[(1S,2S)-2-ethylcycloheptyl]acetamide
SMILESCC[C@H]1CCCCC[C@@H]1NC(C)=O
InChIInChI=1S/C11H21NO/c1-3-10-7-5-4-6-8-11(10)12-9(2)13/h10-11H,3-8H2,1-2H3,(H,12,13)/t10-,11-/m0/s1
InChIKeyUZWCSJWJWIXHTN-QWRGUYRKSA-N
MW183.29 g/mol
LogP2.48
Rot. Bonds2

About N-[(1S,2S)-2-ethylcycloheptyl]acetamide

N-[(1S,2S)-2-ethylcycloheptyl]acetamide (PubChem CID 668218) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[(1S,2S)-2-ethylcycloheptyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-ethylcycloheptyl]acetamide
PubChem CID668218
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[(1S,2S)-2-ethylcycloheptyl]acetamide
SMILESCC[C@H]1CCCCC[C@@H]1NC(C)=O
InChIInChI=1S/C11H21NO/c1-3-10-7-5-4-6-8-11(10)12-9(2)13/h10-11H,3-8H2,1-2H3,(H,12,13)/t10-,11-/m0/s1
InChIKeyUZWCSJWJWIXHTN-QWRGUYRKSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
N-(2-ethylcyclopentyl)acetamide
CID 130891213
1-amino-N-(2-ethylcyclohexyl)cyclopropane-1-carboxamide
CID 65464011
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
1-(2-ethylcyclohexyl)-2-methylguanidine
CID 62360103
3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide
CID 63680548
(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
CID 79011794
1-butyl-3-(2-ethylcyclohexyl)urea
CID 115582575
ethyl 2-[[(2S)-2-acetamidocyclohexyl]methyl]prop-2-enoate
CID 134860047
2-amino-N-(2-ethylcyclohexyl)butanediamide
CID 60847116
1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea
CID 99786912
2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid
CID 54955651

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-ethylcycloheptyl]acetamide?
The IUPAC name of N-[(1S,2S)-2-ethylcycloheptyl]acetamide (CID 668218) is N-[(1S,2S)-2-ethylcycloheptyl]acetamide.
What is the SMILES notation for N-[(1S,2S)-2-ethylcycloheptyl]acetamide?
The canonical SMILES for N-[(1S,2S)-2-ethylcycloheptyl]acetamide is CC[C@H]1CCCCC[C@@H]1NC(C)=O.
What is the InChIKey of N-[(1S,2S)-2-ethylcycloheptyl]acetamide?
The InChIKey is UZWCSJWJWIXHTN-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-10-7-5-4-6-8-11(10)12-9(2)13/h10-11H,3-8H2,1-2H3,(H,12,13)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,2S)-2-ethylcycloheptyl]acetamide?
N-[(1S,2S)-2-ethylcycloheptyl]acetamide has a molecular weight of 183.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-ethylcycloheptyl]acetamide is sourced from PubChem (CID 668218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).