N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide

C15H24N2O2 — CID 81483390

IUPACN-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCCNC1CCCCCC1
InChIInChI=1S/C15H24N2O2/c1-12-14(8-11-19-12)15(18)17-10-9-16-13-6-4-2-3-5-7-13/h8,11,13,16H,2-7,9-10H2,1H3,(H,17,18)
InChIKeyHMHJCWAZTODRSX-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.63
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide

N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide (PubChem CID 81483390) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide
PubChem CID81483390
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCCNC1CCCCCC1
InChIInChI=1S/C15H24N2O2/c1-12-14(8-11-19-12)15(18)17-10-9-16-13-6-4-2-3-5-7-13/h8,11,13,16H,2-7,9-10H2,1H3,(H,17,18)
InChIKeyHMHJCWAZTODRSX-UHFFFAOYSA-N
XLogP2.63
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide 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-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 42780061
N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 115306447
N-(2-cyclopentyl-2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 111426337
N-[2-(cycloheptylamino)ethyl]-2-iodo-3-methylbenzamide
CID 103807397
3-bromo-N-[2-(cycloheptylamino)ethyl]-2-methylbenzamide
CID 81486868
N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-methylfuran-3-carboxamide
CID 45178957
N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide
CID 81487134
N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 81482919
2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
CID 119620649
2-methyl-N-pentylfuran-3-carboxamide
CID 4127379
N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide
CID 119619721
N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 115306432

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide (CID 81483390) is N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide?
The InChIKey is HMHJCWAZTODRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-14(8-11-19-12)15(18)17-10-9-16-13-6-4-2-3-5-7-13/h8,11,13,16H,2-7,9-10H2,1H3,(H,17,18).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide?
N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 81483390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).