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

C16H19N3O3 — CID 39193662

IUPACN-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccco2)c(NC(=O)CCCN)c1
InChIInChI=1S/C16H19N3O3/c1-11-6-7-12(19-16(21)14-4-3-9-22-14)13(10-11)18-15(20)5-2-8-17/h3-4,6-7,9-10H,2,5,8,17H2,1H3,(H,18,20)(H,19,21)
InChIKeySAMYKDDXHDJPHY-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.52
Rot. Bonds6

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

N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide (PubChem CID 39193662) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide
PubChem CID39193662
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccco2)c(NC(=O)CCCN)c1
InChIInChI=1S/C16H19N3O3/c1-11-6-7-12(19-16(21)14-4-3-9-22-14)13(10-11)18-15(20)5-2-8-17/h3-4,6-7,9-10H,2,5,8,17H2,1H3,(H,18,20)(H,19,21)
InChIKeySAMYKDDXHDJPHY-UHFFFAOYSA-N
XLogP2.52
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride
CID 119300225
4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide
CID 39193717
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 39193182
N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide
CID 82034599
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide
CID 39193126
N-(2-acetamido-5-methylphenyl)-3-aminopropanamide
CID 82034596
N-[2-[(4-methoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide
CID 25250119
N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide
CID 39184130
N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide
CID 39192976
4-amino-N-(2-bromo-5-methylphenyl)butanamide
CID 82757472
N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide
CID 55932482
N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide
CID 55811982

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide (CID 39193662) is N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide is Cc1ccc(NC(=O)c2ccco2)c(NC(=O)CCCN)c1.
What is the InChIKey of N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide?
The InChIKey is SAMYKDDXHDJPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-6-7-12(19-16(21)14-4-3-9-22-14)13(10-11)18-15(20)5-2-8-17/h3-4,6-7,9-10H,2,5,8,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide?
N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 39193662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).