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

C14H23N3O3 — CID 120501390

IUPACN-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCNC(=O)C(C)C(C)N
InChIInChI=1S/C14H23N3O3/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)
InChIKeyXEMZIVKSOXBWTE-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.81
Rot. Bonds7

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

N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide (PubChem CID 120501390) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
PubChem CID120501390
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCNC(=O)C(C)C(C)N
InChIInChI=1S/C14H23N3O3/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)
InChIKeyXEMZIVKSOXBWTE-UHFFFAOYSA-N
XLogP0.81
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.81
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;hydrochloride
CID 120501389
N-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
3-methyl-N-[3-(2-methylpropylsulfanyl)propyl]furan-2-carboxamide
CID 75390120
N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119331995
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-[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
N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119332013

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide (CID 120501390) is N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCCCNC(=O)C(C)C(C)N.
What is the InChIKey of N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide?
The InChIKey is XEMZIVKSOXBWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/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).
What are the key properties of N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide?
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.81, 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 is sourced from PubChem (CID 120501390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).