N-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide

C19H24N2O3 — CID 136513669

IUPACN-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide
SMILESCc1cccc(C(C)NC(=O)N2CCOC(c3ccco3)C2)c1C
InChIInChI=1S/C19H24N2O3/c1-13-6-4-7-16(14(13)2)15(3)20-19(22)21-9-11-24-18(12-21)17-8-5-10-23-17/h4-8,10,15,18H,9,11-12H2,1-3H3,(H,20,22)
InChIKeyTVDDCHFDOURUNU-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.74
Rot. Bonds3

About N-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide

N-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide (PubChem CID 136513669) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide
PubChem CID136513669
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide
SMILESCc1cccc(C(C)NC(=O)N2CCOC(c3ccco3)C2)c1C
InChIInChI=1S/C19H24N2O3/c1-13-6-4-7-16(14(13)2)15(3)20-19(22)21-9-11-24-18(12-21)17-8-5-10-23-17/h4-8,10,15,18H,9,11-12H2,1-3H3,(H,20,22)
InChIKeyTVDDCHFDOURUNU-UHFFFAOYSA-N
XLogP3.74
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide
CID 99601315
4-(cyclopropanecarbonyl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 99626790
(2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one
CID 124851606
1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 124567918
(2,6-dimethylpyrimidin-4-yl)-[2-(furan-2-yl)morpholin-4-yl]methanone
CID 136530433
(1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609246
(2R)-N-[(4-chloro-2-fluorophenyl)methyl]-2-(furan-2-yl)morpholine-4-carboxamide
CID 124619649
(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609210
2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide
CID 136532052
(4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609222
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl-[2-(furan-2-yl)morpholin-4-yl]methanone
CID 138000629
2-(furan-2-yl)-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)morpholine-4-carboxamide
CID 167977980

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide (CID 136513669) is N-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide is Cc1cccc(C(C)NC(=O)N2CCOC(c3ccco3)C2)c1C.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide?
The InChIKey is TVDDCHFDOURUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-6-4-7-16(14(13)2)15(3)20-19(22)21-9-11-24-18(12-21)17-8-5-10-23-17/h4-8,10,15,18H,9,11-12H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide?
N-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 136513669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).