5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide

C15H18N4O3 — CID 149458434

IUPAC5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCNC(=O)[C@H](C)NC(=O)c1ccc(-c2ccc(N)c(N)c2)o1
InChIInChI=1S/C15H18N4O3/c1-8(14(20)18-2)19-15(21)13-6-5-12(22-13)9-3-4-10(16)11(17)7-9/h3-8H,16-17H2,1-2H3,(H,18,20)(H,19,21)/t8-/m0/s1
InChIKeyYZAMLHDVIUUDBN-QMMMGPOBSA-N
MW302.33 g/mol
LogP0.98
Rot. Bonds4

About 5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide

5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 149458434) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID149458434
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCNC(=O)[C@H](C)NC(=O)c1ccc(-c2ccc(N)c(N)c2)o1
InChIInChI=1S/C15H18N4O3/c1-8(14(20)18-2)19-15(21)13-6-5-12(22-13)9-3-4-10(16)11(17)7-9/h3-8H,16-17H2,1-2H3,(H,18,20)(H,19,21)/t8-/m0/s1
InChIKeyYZAMLHDVIUUDBN-QMMMGPOBSA-N
XLogP0.98
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 91216509
N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide
CID 91345166
3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide
CID 90738182
4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 62680619
4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 61464238
3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950805
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
5-(3-methylphenyl)-N-propan-2-ylfuran-2-carboxamide
CID 151471229
5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 76807293
4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 55190178
2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide
CID 62059014
N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 74960677

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of 5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide (CID 149458434) is 5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide is CNC(=O)[C@H](C)NC(=O)c1ccc(-c2ccc(N)c(N)c2)o1.
What is the InChIKey of 5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is YZAMLHDVIUUDBN-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-8(14(20)18-2)19-15(21)13-6-5-12(22-13)9-3-4-10(16)11(17)7-9/h3-8H,16-17H2,1-2H3,(H,18,20)(H,19,21)/t8-/m0/s1.
What are the key properties of 5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 149458434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).