N-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide

C13H18N2O3 — CID 116655319

IUPACN-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide
SMILESCOc1cccc(N(C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C13H18N2O3/c1-14(11-4-3-5-12(10-11)17-2)13(16)15-6-8-18-9-7-15/h3-5,10H,6-9H2,1-2H3
InChIKeyDBBZAWUGQUSTGD-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.58
Rot. Bonds2

About N-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide

N-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide (PubChem CID 116655319) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide
PubChem CID116655319
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide
SMILESCOc1cccc(N(C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C13H18N2O3/c1-14(11-4-3-5-12(10-11)17-2)13(16)15-6-8-18-9-7-15/h3-5,10H,6-9H2,1-2H3
InChIKeyDBBZAWUGQUSTGD-UHFFFAOYSA-N
XLogP1.58
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide
CID 66906368
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62001735
[1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 11573068
propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
CID 116655313
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
3-amino-N-(3-methoxyphenyl)-N,2,2,3-tetramethylbutanamide
CID 65267204
4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
CID 62003468
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81354077
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
CID 64593233
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide (CID 116655319) is N-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide is COc1cccc(N(C)C(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide?
The InChIKey is DBBZAWUGQUSTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14(11-4-3-5-12(10-11)17-2)13(16)15-6-8-18-9-7-15/h3-5,10H,6-9H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide?
N-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 116655319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).