N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide

C16H26N2O2 — CID 119619721

IUPACN-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)NCCNC2CCCCCC2)o1
InChIInChI=1S/C16H26N2O2/c1-12-11-13(2)20-15(12)16(19)18-10-9-17-14-7-5-3-4-6-8-14/h11,14,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyYJBFCOJNCPTUJU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide

N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide (PubChem CID 119619721) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide
PubChem CID119619721
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)NCCNC2CCCCCC2)o1
InChIInChI=1S/C16H26N2O2/c1-12-11-13(2)20-15(12)16(19)18-10-9-17-14-7-5-3-4-6-8-14/h11,14,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyYJBFCOJNCPTUJU-UHFFFAOYSA-N
XLogP2.94
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.94
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-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119621397
N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide
CID 81483390
N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 115306447
3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide
CID 115306479
5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide
CID 136526522
N-[2-(cycloheptylamino)ethyl]-2-iodo-3-methylbenzamide
CID 103807397
N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 81482919
N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678770
3-N-[2-(cycloheptylamino)ethyl]-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119621482
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide
CID 55774303

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide (CID 119619721) is N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide is Cc1cc(C)c(C(=O)NCCNC2CCCCCC2)o1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide?
The InChIKey is YJBFCOJNCPTUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-11-13(2)20-15(12)16(19)18-10-9-17-14-7-5-3-4-6-8-14/h11,14,17H,3-10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide?
N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.94, 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]-3,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 119619721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).