N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide

C19H26N2O2 — CID 119621397

IUPACN-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCNC2CCCCCC2)oc2ccccc12
InChIInChI=1S/C19H26N2O2/c1-14-16-10-6-7-11-17(16)23-18(14)19(22)21-13-12-20-15-8-4-2-3-5-9-15/h6-7,10-11,15,20H,2-5,8-9,12-13H2,1H3,(H,21,22)
InChIKeyRWAKSIVUTGWKMU-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.78
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide

N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 119621397) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID119621397
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCNC2CCCCCC2)oc2ccccc12
InChIInChI=1S/C19H26N2O2/c1-14-16-10-6-7-11-17(16)23-18(14)19(22)21-13-12-20-15-8-4-2-3-5-9-15/h6-7,10-11,15,20H,2-5,8-9,12-13H2,1H3,(H,21,22)
InChIKeyRWAKSIVUTGWKMU-UHFFFAOYSA-N
XLogP3.78
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.78
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

3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide
CID 119619721
4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43239246
N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119592038
3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide
CID 9088716
[2-(cyclohexylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653287
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 47063757
N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 108793579
3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide
CID 27040449
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 49357654
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2637047

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 119621397) is N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCNC2CCCCCC2)oc2ccccc12.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is RWAKSIVUTGWKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-16-10-6-7-11-17(16)23-18(14)19(22)21-13-12-20-15-8-4-2-3-5-9-15/h6-7,10-11,15,20H,2-5,8-9,12-13H2,1H3,(H,21,22).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.78, 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-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119621397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).