N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide

C17H27N3O2 — CID 110267598

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)C1(C)CN(C)CCO1
InChIInChI=1S/C17H27N3O2/c1-17(13-20(4)9-10-22-17)16(21)18-11-14-7-5-6-8-15(14)12-19(2)3/h5-8H,9-13H2,1-4H3,(H,18,21)
InChIKeyJWBFHRAOEVZCQB-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.09
Rot. Bonds5

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide (PubChem CID 110267598) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide
PubChem CID110267598
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)C1(C)CN(C)CCO1
InChIInChI=1S/C17H27N3O2/c1-17(13-20(4)9-10-22-17)16(21)18-11-14-7-5-6-8-15(14)12-19(2)3/h5-8H,9-13H2,1-4H3,(H,18,21)
InChIKeyJWBFHRAOEVZCQB-UHFFFAOYSA-N
XLogP1.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide
CID 127247774
(2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide
CID 125000351
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide
CID 87003505
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119835459
2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid
CID 81318107
(2S)-N-benzyl-N-(2-hydroxyethyl)-2,4-dimethylmorpholine-2-carboxamide
CID 95839270
(2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958386
(2S)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958385
ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate
CID 60668726
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea
CID 122565152
(2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125024983
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119835445

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide (CID 110267598) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide is CN(C)Cc1ccccc1CNC(=O)C1(C)CN(C)CCO1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide?
The InChIKey is JWBFHRAOEVZCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(13-20(4)9-10-22-17)16(21)18-11-14-7-5-6-8-15(14)12-19(2)3/h5-8H,9-13H2,1-4H3,(H,18,21).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 110267598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).