N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide

C16H18N2O3 — CID 131948367

IUPACN-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccoc2)cc1NC(=O)C(C)C
InChIInChI=1S/C16H18N2O3/c1-10(2)15(19)18-14-8-13(5-4-11(14)3)17-16(20)12-6-7-21-9-12/h4-10H,1-3H3,(H,17,20)(H,18,19)
InChIKeyUREQMDRUNZUCAO-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.43
Rot. Bonds4

About N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide

N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide (PubChem CID 131948367) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide
PubChem CID131948367
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccoc2)cc1NC(=O)C(C)C
InChIInChI=1S/C16H18N2O3/c1-10(2)15(19)18-14-8-13(5-4-11(14)3)17-16(20)12-6-7-21-9-12/h4-10H,1-3H3,(H,17,20)(H,18,19)
InChIKeyUREQMDRUNZUCAO-UHFFFAOYSA-N
XLogP3.43
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 47041621
4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
CID 86977710
2-methyl-3-(methylamino)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]propanamide
CID 119725778
3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
CID 46485899
1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 86991547
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
N-[5-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-2-methylphenyl]-2-methylpropanamide
CID 131943184
5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 46475612
N-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]furan-3-carboxamide
CID 18368378
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 55202900
3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 893199
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 119725790

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide?
The IUPAC name of N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide (CID 131948367) is N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide is Cc1ccc(NC(=O)c2ccoc2)cc1NC(=O)C(C)C.
What is the InChIKey of N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide?
The InChIKey is UREQMDRUNZUCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(2)15(19)18-14-8-13(5-4-11(14)3)17-16(20)12-6-7-21-9-12/h4-10H,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide?
N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide is sourced from PubChem (CID 131948367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).