N-(4-aminobutyl)-3-methylfuran-2-carboxamide

C10H16N2O2 — CID 60895762

IUPACN-(4-aminobutyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCCN
InChIInChI=1S/C10H16N2O2/c1-8-4-7-14-9(8)10(13)12-6-3-2-5-11/h4,7H,2-3,5-6,11H2,1H3,(H,12,13)
InChIKeyZTROVBBYTGKARL-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.06
Rot. Bonds5

About N-(4-aminobutyl)-3-methylfuran-2-carboxamide

N-(4-aminobutyl)-3-methylfuran-2-carboxamide (PubChem CID 60895762) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(4-aminobutyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-3-methylfuran-2-carboxamide
PubChem CID60895762
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(4-aminobutyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCCN
InChIInChI=1S/C10H16N2O2/c1-8-4-7-14-9(8)10(13)12-6-3-2-5-11/h4,7H,2-3,5-6,11H2,1H3,(H,12,13)
InChIKeyZTROVBBYTGKARL-UHFFFAOYSA-N
XLogP1.06
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide
CID 111439289
N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119331995
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 120501390
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 120501389
2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 75483650
N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide
CID 106307161
N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 119332014
N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817772
3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide
CID 62659000
5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid
CID 119186184
3-methyl-N-[3-(2-methylpropylsulfanyl)propyl]furan-2-carboxamide
CID 75390120

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(4-aminobutyl)-3-methylfuran-2-carboxamide (CID 60895762) is N-(4-aminobutyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(4-aminobutyl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCCCCN.
What is the InChIKey of N-(4-aminobutyl)-3-methylfuran-2-carboxamide?
The InChIKey is ZTROVBBYTGKARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8-4-7-14-9(8)10(13)12-6-3-2-5-11/h4,7H,2-3,5-6,11H2,1H3,(H,12,13).
What are the key properties of N-(4-aminobutyl)-3-methylfuran-2-carboxamide?
N-(4-aminobutyl)-3-methylfuran-2-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 60895762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).