N-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide

C22H23N3O3 — CID 55840397

IUPACN-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCC(CNC(=O)c1cccc(NC(=O)c2ccco2)c1)N(C)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-16(25(2)19-10-4-3-5-11-19)15-23-21(26)17-8-6-9-18(14-17)24-22(27)20-12-7-13-28-20/h3-14,16H,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyNLTBGOIEIDTVHA-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.79
Rot. Bonds7

About N-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide

N-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55840397) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID55840397
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCC(CNC(=O)c1cccc(NC(=O)c2ccco2)c1)N(C)c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-16(25(2)19-10-4-3-5-11-19)15-23-21(26)17-8-6-9-18(14-17)24-22(27)20-12-7-13-28-20/h3-14,16H,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyNLTBGOIEIDTVHA-UHFFFAOYSA-N
XLogP3.79
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55853540
N-[3-[furan-2-ylmethyl(phenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55870410
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
(2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
CID 119363496
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55824718
1-phenylethyl 3-(furan-2-carbonylamino)benzoate
CID 78793343
N-[3-[(3-ethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55844290
N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55852480
N-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide
CID 40820384

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide (CID 55840397) is N-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide is CC(CNC(=O)c1cccc(NC(=O)c2ccco2)c1)N(C)c1ccccc1.
What is the InChIKey of N-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is NLTBGOIEIDTVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16(25(2)19-10-4-3-5-11-19)15-23-21(26)17-8-6-9-18(14-17)24-22(27)20-12-7-13-28-20/h3-14,16H,15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide?
N-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55840397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).