N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide

C15H21ClN2O2 — CID 119749418

IUPACN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C15H21ClN2O2/c1-17-10-14(19)18-11-15(6-8-20-9-7-15)12-2-4-13(16)5-3-12/h2-5,17H,6-11H2,1H3,(H,18,19)
InChIKeyANNCKIGFRCPPHY-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.72
Rot. Bonds5

About N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide

N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide (PubChem CID 119749418) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
PubChem CID119749418
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C15H21ClN2O2/c1-17-10-14(19)18-11-15(6-8-20-9-7-15)12-2-4-13(16)5-3-12/h2-5,17H,6-11H2,1H3,(H,18,19)
InChIKeyANNCKIGFRCPPHY-UHFFFAOYSA-N
XLogP1.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
CID 119749400
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide
CID 27449167
N-[2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 60573282
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119731211
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]buta-2,3-dienamide
CID 176519551
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
CID 60573347
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119799732
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide
CID 60575805
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014293

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide?
The IUPAC name of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide (CID 119749418) is N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide is CNCC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide?
The InChIKey is ANNCKIGFRCPPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-17-10-14(19)18-11-15(6-8-20-9-7-15)12-2-4-13(16)5-3-12/h2-5,17H,6-11H2,1H3,(H,18,19).
What are the key properties of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide?
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide has a molecular weight of 296.80 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119749418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).