N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide

C16H25N3O3 — CID 119845730

IUPACN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide
SMILESCN(C)CCOc1cccc(CNC(=O)C2COCCN2)c1
InChIInChI=1S/C16H25N3O3/c1-19(2)7-9-22-14-5-3-4-13(10-14)11-18-16(20)15-12-21-8-6-17-15/h3-5,10,15,17H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyBZKFWTDAZNSLQV-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.23
Rot. Bonds7

About N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide

N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide (PubChem CID 119845730) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide
PubChem CID119845730
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide
SMILESCN(C)CCOc1cccc(CNC(=O)C2COCCN2)c1
InChIInChI=1S/C16H25N3O3/c1-19(2)7-9-22-14-5-3-4-13(10-14)11-18-16(20)15-12-21-8-6-17-15/h3-5,10,15,17H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyBZKFWTDAZNSLQV-UHFFFAOYSA-N
XLogP0.23
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide
CID 119877252
N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119762990
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 119862520
N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243
N-[(4-propoxyphenyl)methyl]morpholine-3-carboxamide
CID 119714341
[3-[2-(dimethylamino)ethoxy]phenyl]methylurea
CID 91413450
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119847595
N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119808070
methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate
CID 119325625
methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride
CID 119325642
N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119747493
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119718110

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide (CID 119845730) is N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide is CN(C)CCOc1cccc(CNC(=O)C2COCCN2)c1.
What is the InChIKey of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide?
The InChIKey is BZKFWTDAZNSLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-19(2)7-9-22-14-5-3-4-13(10-14)11-18-16(20)15-12-21-8-6-17-15/h3-5,10,15,17H,6-9,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide?
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119845730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).