N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide

C15H22N2O3 — CID 61428602

IUPACN-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide
SMILESCC(O)c1cccc(NC(=O)N2CCOCC2(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-11(18)12-5-4-6-13(9-12)16-14(19)17-7-8-20-10-15(17,2)3/h4-6,9,11,18H,7-8,10H2,1-3H3,(H,16,19)
InChIKeyPNZRTUIZWUHEJV-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.38
Rot. Bonds2

About N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide

N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide (PubChem CID 61428602) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide
PubChem CID61428602
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide
SMILESCC(O)c1cccc(NC(=O)N2CCOCC2(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-11(18)12-5-4-6-13(9-12)16-14(19)17-7-8-20-10-15(17,2)3/h4-6,9,11,18H,7-8,10H2,1-3H3,(H,16,19)
InChIKeyPNZRTUIZWUHEJV-UHFFFAOYSA-N
XLogP2.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 61428586
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61427841
1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea
CID 51095578
N-[3-(1-hydroxyethyl)phenyl]piperidine-1-carboxamide
CID 61348004
1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol
CID 61428098
N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide
CID 110353024
N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002185
1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide
CID 61347794
N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide
CID 110353014
N-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide
CID 61427964
3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
CID 61428498
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide
CID 110352817

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide (CID 61428602) is N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide is CC(O)c1cccc(NC(=O)N2CCOCC2(C)C)c1.
What is the InChIKey of N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide?
The InChIKey is PNZRTUIZWUHEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(18)12-5-4-6-13(9-12)16-14(19)17-7-8-20-10-15(17,2)3/h4-6,9,11,18H,7-8,10H2,1-3H3,(H,16,19).
What are the key properties of N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide?
N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 61428602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).