(2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide

C16H23N3O3 — CID 95838161

IUPAC(2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide
SMILESCN(C)Cc1ccc(C(=O)N2CCO[C@@](C)(C(N)=O)C2)cc1
InChIInChI=1S/C16H23N3O3/c1-16(15(17)21)11-19(8-9-22-16)14(20)13-6-4-12(5-7-13)10-18(2)3/h4-7H,8-11H2,1-3H3,(H2,17,21)/t16-/m1/s1
InChIKeyKTPBRYXBQKYXGI-MRXNPFEDSA-N
MW305.38 g/mol
LogP0.46
Rot. Bonds4

About (2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide

(2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide (PubChem CID 95838161) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide
PubChem CID95838161
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide
SMILESCN(C)Cc1ccc(C(=O)N2CCO[C@@](C)(C(N)=O)C2)cc1
InChIInChI=1S/C16H23N3O3/c1-16(15(17)21)11-19(8-9-22-16)14(20)13-6-4-12(5-7-13)10-18(2)3/h4-7H,8-11H2,1-3H3,(H2,17,21)/t16-/m1/s1
InChIKeyKTPBRYXBQKYXGI-MRXNPFEDSA-N
XLogP0.46
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
(2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide
CID 95839705
(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-methylmorpholine-2-carboxamide
CID 95839579
(2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
CID 125009721
4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide
CID 110090396
(2R)-2-methyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815549
(2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide
CID 124997751
N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide
CID 110106977
(2R)-2-methyl-4-(2-naphthalen-2-ylacetyl)morpholine-2-carboxamide
CID 124986005
(2S)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124953808
(2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124953809
(2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide
CID 125021701

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide?
The IUPAC name of (2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide (CID 95838161) is (2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide is CN(C)Cc1ccc(C(=O)N2CCO[C@@](C)(C(N)=O)C2)cc1.
What is the InChIKey of (2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide?
The InChIKey is KTPBRYXBQKYXGI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(15(17)21)11-19(8-9-22-16)14(20)13-6-4-12(5-7-13)10-18(2)3/h4-7H,8-11H2,1-3H3,(H2,17,21)/t16-/m1/s1.
What are the key properties of (2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide?
(2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide is sourced from PubChem (CID 95838161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).