N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide

C14H21N3O2 — CID 115377301

IUPACN-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide
SMILESCc1ccc(NC(=O)C2COCCN2)cc1N(C)C
InChIInChI=1S/C14H21N3O2/c1-10-4-5-11(8-13(10)17(2)3)16-14(18)12-9-19-7-6-15-12/h4-5,8,12,15H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyPINGVHKUOOPRNX-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.99
Rot. Bonds3

About N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide

N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide (PubChem CID 115377301) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide
PubChem CID115377301
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide
SMILESCc1ccc(NC(=O)C2COCCN2)cc1N(C)C
InChIInChI=1S/C14H21N3O2/c1-10-4-5-11(8-13(10)17(2)3)16-14(18)12-9-19-7-6-15-12/h4-5,8,12,15H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyPINGVHKUOOPRNX-UHFFFAOYSA-N
XLogP0.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide
CID 119730948
N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
N-(3-ethyl-4-methoxyphenyl)morpholine-3-carboxamide
CID 115177545
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]morpholine-3-carboxamide
CID 119675117
N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
CID 119842871
N-[3-(cyclohexylmethoxy)-4-methylphenyl]morpholine-3-carboxamide
CID 119797837
N-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride
CID 119693674
N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride
CID 119838375
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119891518
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide (CID 115377301) is N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide is Cc1ccc(NC(=O)C2COCCN2)cc1N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide?
The InChIKey is PINGVHKUOOPRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-4-5-11(8-13(10)17(2)3)16-14(18)12-9-19-7-6-15-12/h4-5,8,12,15H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide?
N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide is sourced from PubChem (CID 115377301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).