N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide

C15H22N2O3 — CID 119804946

IUPACN-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide
SMILESCc1cccc(OC(C)CNC(=O)C2CNCCO2)c1
InChIInChI=1S/C15H22N2O3/c1-11-4-3-5-13(8-11)20-12(2)9-17-15(18)14-10-16-6-7-19-14/h3-5,8,12,14,16H,6-7,9-10H2,1-2H3,(H,17,18)
InChIKeyDATZQJUUYHBGCO-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.87
Rot. Bonds5

About N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide

N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide (PubChem CID 119804946) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide
PubChem CID119804946
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide
SMILESCc1cccc(OC(C)CNC(=O)C2CNCCO2)c1
InChIInChI=1S/C15H22N2O3/c1-11-4-3-5-13(8-11)20-12(2)9-17-15(18)14-10-16-6-7-19-14/h3-5,8,12,14,16H,6-7,9-10H2,1-2H3,(H,17,18)
InChIKeyDATZQJUUYHBGCO-UHFFFAOYSA-N
XLogP0.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide
CID 119819907
N-[2-(3-chlorophenoxy)propyl]morpholine-2-carboxamide;hydrochloride
CID 119807139
N-[2-(4-fluorophenoxy)propyl]morpholine-2-carboxamide
CID 119804499
(2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride
CID 120935240
N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335744
N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide
CID 119768768
N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 119767529
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119831068
4-[2-(3-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673900
N-[(4-methyl-2-phenoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119811725
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide
CID 119832218
N-[3-[(3-methylphenyl)methoxy]phenyl]morpholine-2-carboxamide
CID 119783770

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide (CID 119804946) is N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide is Cc1cccc(OC(C)CNC(=O)C2CNCCO2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide?
The InChIKey is DATZQJUUYHBGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-4-3-5-13(8-11)20-12(2)9-17-15(18)14-10-16-6-7-19-14/h3-5,8,12,14,16H,6-7,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide?
N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide is sourced from PubChem (CID 119804946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).