N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride

C14H24ClN3O3 — CID 120501389

IUPACN-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
SMILESCc1ccoc1C(=O)NCCCNC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C14H23N3O3.ClH/c1-9-5-8-20-12(9)14(19)17-7-4-6-16-13(18)10(2)11(3)15;/h5,8,10-11H,4,6-7,15H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyZNTVOSRWPPBOGM-UHFFFAOYSA-N
MW317.82 g/mol
LogP1.23
Rot. Bonds7

About N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride

N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride (PubChem CID 120501389) has the molecular formula C14H24ClN3O3 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
PubChem CID120501389
Molecular FormulaC14H24ClN3O3
Molecular Weight317.82 g/mol
Exact Mass317.15
IUPAC NameN-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
SMILESCc1ccoc1C(=O)NCCCNC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C14H23N3O3.ClH/c1-9-5-8-20-12(9)14(19)17-7-4-6-16-13(18)10(2)11(3)15;/h5,8,10-11H,4,6-7,15H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyZNTVOSRWPPBOGM-UHFFFAOYSA-N
XLogP1.23
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 120501390
N-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119331995
3-methyl-N-[3-(2-methylpropylsulfanyl)propyl]furan-2-carboxamide
CID 75390120
3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide
CID 111439289
N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 119951886
N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119332013
N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide
CID 104593838
N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 119332014
N-(2-aminobutyl)-3-methylfuran-2-carboxamide
CID 63732617
5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid
CID 119186184

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride (CID 120501389) is N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride is Cc1ccoc1C(=O)NCCCNC(=O)C(C)C(C)N.Cl.
What is the InChIKey of N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is ZNTVOSRWPPBOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3.ClH/c1-9-5-8-20-12(9)14(19)17-7-4-6-16-13(18)10(2)11(3)15;/h5,8,10-11H,4,6-7,15H2,1-3H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride?
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120501389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).