N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide

C16H25N3O2 — CID 75499475

IUPACN-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide
SMILESCc1c(NC(=O)N2CCOC(C)C2C)cccc1N(C)C
InChIInChI=1S/C16H25N3O2/c1-11-14(7-6-8-15(11)18(4)5)17-16(20)19-9-10-21-13(3)12(19)2/h6-8,12-13H,9-10H2,1-5H3,(H,17,20)
InChIKeyNXFFKUCRSLSJCA-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.70
Rot. Bonds2

About N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide

N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide (PubChem CID 75499475) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide
PubChem CID75499475
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide
SMILESCc1c(NC(=O)N2CCOC(C)C2C)cccc1N(C)C
InChIInChI=1S/C16H25N3O2/c1-11-14(7-6-8-15(11)18(4)5)17-16(20)19-9-10-21-13(3)12(19)2/h6-8,12-13H,9-10H2,1-5H3,(H,17,20)
InChIKeyNXFFKUCRSLSJCA-UHFFFAOYSA-N
XLogP2.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-(4-Methyl-1,3-phenylene)bis(1-piperidinecarboxamide)
CID 341869
N-[4-(propan-2-yl)phenyl]morpholine-4-carboxamide
CID 669753
4-(N-(P-Tolyl)carbamoyl)morpholine
CID 790704
1-(1-Propionylpiperidin-4-yl)-3-o-tolylurea
CID 49782797
N-(2-methylphenyl)morpholine-4-carbothioamide
CID 700015
N-[4-(butan-2-yl)phenyl]morpholine-4-carboxamide
CID 2880620
3-(2,6-Dimethyl-morpholin-4-yl)-N-p-tolyl-propionamide
CID 23724245
4-Morpholinecarboxamide, N-(2,4-dimethylphenyl)-
CID 2306921
3-[3-(Dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 16737501
N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 3587354
4-(N-(M-Tolyl)carbamoyl)morpholine
CID 792284
4-methyl-N-[2-methyl-5-[(4-methylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 235440

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide (CID 75499475) is N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide is Cc1c(NC(=O)N2CCOC(C)C2C)cccc1N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide?
The InChIKey is NXFFKUCRSLSJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-14(7-6-8-15(11)18(4)5)17-16(20)19-9-10-21-13(3)12(19)2/h6-8,12-13H,9-10H2,1-5H3,(H,17,20).
What are the key properties of N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide?
N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 75499475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).