N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide

C16H18N2O3 — CID 38005582

IUPACN,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2occc2C)cc1
InChIInChI=1S/C16H18N2O3/c1-11-4-6-13(7-5-11)17-14(19)10-18(3)16(20)15-12(2)8-9-21-15/h4-9H,10H2,1-3H3,(H,17,19)
InChIKeyGMPUYMVGHFNDHX-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.61
Rot. Bonds4

About N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide

N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 38005582) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID38005582
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2occc2C)cc1
InChIInChI=1S/C16H18N2O3/c1-11-4-6-13(7-5-11)17-14(19)10-18(3)16(20)15-12(2)8-9-21-15/h4-9H,10H2,1-3H3,(H,17,19)
InChIKeyGMPUYMVGHFNDHX-UHFFFAOYSA-N
XLogP2.61
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 40728961
2-hydroxy-N,3,4-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 87011131
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 42907979
tert-butyl N-[4-[methyl-[2-(4-methylanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9374645
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 9494044
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenylbenzamide
CID 55339888
N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
CID 2454779
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 46563050

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide (CID 38005582) is N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)c2occc2C)cc1.
What is the InChIKey of N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is GMPUYMVGHFNDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-4-6-13(7-5-11)17-14(19)10-18(3)16(20)15-12(2)8-9-21-15/h4-9H,10H2,1-3H3,(H,17,19).
What are the key properties of N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide?
N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 38005582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).