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

C16H20ClN3O3 — CID 119300225

IUPACN-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)CCCN)ccc1NC(=O)c1ccco1.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-11-10-12(18-15(20)5-2-8-17)6-7-13(11)19-16(21)14-4-3-9-22-14;/h3-4,6-7,9-10H,2,5,8,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyAOEQJMUTPZFVMR-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.94
Rot. Bonds6

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

N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride (PubChem CID 119300225) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride
PubChem CID119300225
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC NameN-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)CCCN)ccc1NC(=O)c1ccco1.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-11-10-12(18-15(20)5-2-8-17)6-7-13(11)19-16(21)14-4-3-9-22-14;/h3-4,6-7,9-10H,2,5,8,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyAOEQJMUTPZFVMR-UHFFFAOYSA-N
XLogP2.94
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 4221258
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 39193182
N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide
CID 39193662
N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 119743182
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide
CID 39193126
N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
CID 39193527
N-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 131908546
N-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 131924223
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 1086039
N-[4-[(2-fluoro-6-methylbenzoyl)amino]-2-methylphenyl]furan-2-carboxamide
CID 131889577
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride (CID 119300225) is N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride is Cc1cc(NC(=O)CCCN)ccc1NC(=O)c1ccco1.Cl.
What is the InChIKey of N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is AOEQJMUTPZFVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.ClH/c1-11-10-12(18-15(20)5-2-8-17)6-7-13(11)19-16(21)14-4-3-9-22-14;/h3-4,6-7,9-10H,2,5,8,17H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride?
N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119300225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).