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

C16H24N2O3 — CID 119819907

IUPACN-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide
SMILESCCC(CNC(=O)C1CNCCO1)Oc1cccc(C)c1
InChIInChI=1S/C16H24N2O3/c1-3-13(21-14-6-4-5-12(2)9-14)10-18-16(19)15-11-17-7-8-20-15/h4-6,9,13,15,17H,3,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyDELMKXAJPGTSEU-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.26
Rot. Bonds6

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

N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide (PubChem CID 119819907) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide
PubChem CID119819907
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide
SMILESCCC(CNC(=O)C1CNCCO1)Oc1cccc(C)c1
InChIInChI=1S/C16H24N2O3/c1-3-13(21-14-6-4-5-12(2)9-14)10-18-16(19)15-11-17-7-8-20-15/h4-6,9,13,15,17H,3,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyDELMKXAJPGTSEU-UHFFFAOYSA-N
XLogP1.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide
CID 119804946
N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide
CID 119344253
N-[2-(3-chlorophenoxy)propyl]morpholine-2-carboxamide;hydrochloride
CID 119807139
N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119148602
N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide
CID 119819887
N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 119767529
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119831068
N-[2-(4-fluorophenoxy)propyl]morpholine-2-carboxamide
CID 119804499
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-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide
CID 119768768
N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide
CID 119819909

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide (CID 119819907) is N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide is CCC(CNC(=O)C1CNCCO1)Oc1cccc(C)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide?
The InChIKey is DELMKXAJPGTSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-13(21-14-6-4-5-12(2)9-14)10-18-16(19)15-11-17-7-8-20-15/h4-6,9,13,15,17H,3,7-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide?
N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide is sourced from PubChem (CID 119819907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).