N-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide

C15H28N2O2 — CID 115665980

IUPACN-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCCN(C(=O)CN(C)CCC(C)O)C1=CCCCC1
InChIInChI=1S/C15H28N2O2/c1-4-17(14-8-6-5-7-9-14)15(19)12-16(3)11-10-13(2)18/h8,13,18H,4-7,9-12H2,1-3H3
InChIKeyHURKKHAQMHCZJF-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.00
Rot. Bonds7

About N-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide

N-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide (PubChem CID 115665980) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide
PubChem CID115665980
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCCN(C(=O)CN(C)CCC(C)O)C1=CCCCC1
InChIInChI=1S/C15H28N2O2/c1-4-17(14-8-6-5-7-9-14)15(19)12-16(3)11-10-13(2)18/h8,13,18H,4-7,9-12H2,1-3H3
InChIKeyHURKKHAQMHCZJF-UHFFFAOYSA-N
XLogP2.00
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopenten-1-yl)-N-ethyl-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 78989130
2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 55096747
methyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate
CID 78979276
3-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoic acid
CID 61009668
2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913710
2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8709957
N-(cyclohexen-1-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-ethylacetamide
CID 60967635
2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 8676470
2-[tert-butyl-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 79262523
2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 78924041
2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 81223051
N-(cyclohexen-1-yl)-N-ethyl-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 51725617

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide (CID 115665980) is N-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide is CCN(C(=O)CN(C)CCC(C)O)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide?
The InChIKey is HURKKHAQMHCZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-17(14-8-6-5-7-9-14)15(19)12-16(3)11-10-13(2)18/h8,13,18H,4-7,9-12H2,1-3H3.
What are the key properties of N-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide?
N-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide has a molecular weight of 268.40 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide is sourced from PubChem (CID 115665980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).