2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide

C16H21ClN2O2 — CID 110356676

IUPAC2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide
SMILESCC1(C)COC(c2cccc(Cl)c2)CN1C(=O)NC1CC1
InChIInChI=1S/C16H21ClN2O2/c1-16(2)10-21-14(11-4-3-5-12(17)8-11)9-19(16)15(20)18-13-6-7-13/h3-5,8,13-14H,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyUKPHZXHXONETNM-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.36
Rot. Bonds2

About 2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide

2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide (PubChem CID 110356676) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide
PubChem CID110356676
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide
SMILESCC1(C)COC(c2cccc(Cl)c2)CN1C(=O)NC1CC1
InChIInChI=1S/C16H21ClN2O2/c1-16(2)10-21-14(11-4-3-5-12(17)8-11)9-19(16)15(20)18-13-6-7-13/h3-5,8,13-14H,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyUKPHZXHXONETNM-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone
CID 110358376
[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone
CID 110358386
1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110358398
6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione
CID 154789318
2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide
CID 138032990
(E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one
CID 167839223
methyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate
CID 139647185
N-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide
CID 110155144
(2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine
CID 51349597
2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 4142914
(2S)-2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 7414110
2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide
CID 110368946

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide (CID 110356676) is 2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide is CC1(C)COC(c2cccc(Cl)c2)CN1C(=O)NC1CC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide?
The InChIKey is UKPHZXHXONETNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-16(2)10-21-14(11-4-3-5-12(17)8-11)9-19(16)15(20)18-13-6-7-13/h3-5,8,13-14H,6-7,9-10H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide?
2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 110356676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).