N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide

C16H23ClN2O2 — CID 102677225

IUPACN-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CN(CCO)C1CCC1
InChIInChI=1S/C16H23ClN2O2/c1-18(11-13-4-2-5-14(17)10-13)16(21)12-19(8-9-20)15-6-3-7-15/h2,4-5,10,15,20H,3,6-9,11-12H2,1H3
InChIKeyGFQFHVUWFJRCJF-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.15
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide

N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide (PubChem CID 102677225) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
PubChem CID102677225
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CN(CCO)C1CCC1
InChIInChI=1S/C16H23ClN2O2/c1-18(11-13-4-2-5-14(17)10-13)16(21)12-19(8-9-20)15-6-3-7-15/h2,4-5,10,15,20H,3,6-9,11-12H2,1H3
InChIKeyGFQFHVUWFJRCJF-UHFFFAOYSA-N
XLogP2.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 60694185
2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 62688638
N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
CID 62210205
N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine
CID 63389670
2-[cyclobutyl(3-hydroxypropyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 102848345
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
CID 111112920
N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 39356192
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
N-[(3-chlorophenyl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 78813337
2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695230

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide (CID 102677225) is N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide is CN(Cc1cccc(Cl)c1)C(=O)CN(CCO)C1CCC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide?
The InChIKey is GFQFHVUWFJRCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-18(11-13-4-2-5-14(17)10-13)16(21)12-19(8-9-20)15-6-3-7-15/h2,4-5,10,15,20H,3,6-9,11-12H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide?
N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide has a molecular weight of 310.82 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide is sourced from PubChem (CID 102677225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).