N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide

C16H19N3O3 — CID 119743182

IUPACN-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)CC(C)N)ccc1NC(=O)c1ccco1
InChIInChI=1S/C16H19N3O3/c1-10-8-12(18-15(20)9-11(2)17)5-6-13(10)19-16(21)14-4-3-7-22-14/h3-8,11H,9,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAOUSGFRUDNGMOA-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.52
Rot. Bonds5

About N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide

N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide (PubChem CID 119743182) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide
PubChem CID119743182
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)CC(C)N)ccc1NC(=O)c1ccco1
InChIInChI=1S/C16H19N3O3/c1-10-8-12(18-15(20)9-11(2)17)5-6-13(10)19-16(21)14-4-3-7-22-14/h3-8,11H,9,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAOUSGFRUDNGMOA-UHFFFAOYSA-N
XLogP2.52
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 4221258
N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride
CID 119300225
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
N-[4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylphenyl]furan-2-carboxamide;hydrochloride
CID 119300211
N-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 131924223
N-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1086037
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
N-[2-methyl-4-[(3-methylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 122132677
N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 723686
N-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide
CID 120589860
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 131908546

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide (CID 119743182) is N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide is Cc1cc(NC(=O)CC(C)N)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is AOUSGFRUDNGMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-8-12(18-15(20)9-11(2)17)5-6-13(10)19-16(21)14-4-3-7-22-14/h3-8,11H,9,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide?
N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 119743182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).