2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide

C16H24N4O3 — CID 154798666

IUPAC2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCOC(CN(C)C)C2)c1
InChIInChI=1S/C16H24N4O3/c1-17-15(21)12-5-4-6-13(9-12)18-16(22)20-7-8-23-14(11-20)10-19(2)3/h4-6,9,14H,7-8,10-11H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyDMDPJEWPVWPHMD-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.84
Rot. Bonds4

About 2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide

2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide (PubChem CID 154798666) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
PubChem CID154798666
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCOC(CN(C)C)C2)c1
InChIInChI=1S/C16H24N4O3/c1-17-15(21)12-5-4-6-13(9-12)18-16(22)20-7-8-23-14(11-20)10-19(2)3/h4-6,9,14H,7-8,10-11H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyDMDPJEWPVWPHMD-UHFFFAOYSA-N
XLogP0.84
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide
CID 164634604
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]benzoic acid
CID 81204204
2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide
CID 61337014
2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122073549
N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide
CID 125161188
(2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 93338501
3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 136530045
2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide
CID 75405540
2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122088781
N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832192
(2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990157
2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122089090

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide (CID 154798666) is 2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide is CNC(=O)c1cccc(NC(=O)N2CCOC(CN(C)C)C2)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide?
The InChIKey is DMDPJEWPVWPHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-17-15(21)12-5-4-6-13(9-12)18-16(22)20-7-8-23-14(11-20)10-19(2)3/h4-6,9,14H,7-8,10-11H2,1-3H3,(H,17,21)(H,18,22).
What are the key properties of 2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide?
2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 154798666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).