N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide

C21H32N2O3 — CID 119619503

IUPACN-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NCCNC1CCCCCC1)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C21H32N2O3/c24-21(23-13-12-22-18-8-3-1-2-4-9-18)17-7-5-10-19(15-17)26-16-20-11-6-14-25-20/h5,7,10,15,18,20,22H,1-4,6,8-9,11-14,16H2,(H,23,24)
InChIKeyAJCFLRSXWCHVQM-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.29
Rot. Bonds8

About N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide

N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 119619503) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID119619503
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NCCNC1CCCCCC1)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C21H32N2O3/c24-21(23-13-12-22-18-8-3-1-2-4-9-18)17-7-5-10-19(15-17)26-16-20-11-6-14-25-20/h5,7,10,15,18,20,22H,1-4,6,8-9,11-14,16H2,(H,23,24)
InChIKeyAJCFLRSXWCHVQM-UHFFFAOYSA-N
XLogP3.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 94023247
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119475074
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119455783
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
N-[3-(2,4-dimethylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044181
N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119640288
N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 95781316
N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide (CID 119619503) is N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide is O=C(NCCNC1CCCCCC1)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is AJCFLRSXWCHVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c24-21(23-13-12-22-18-8-3-1-2-4-9-18)17-7-5-10-19(15-17)26-16-20-11-6-14-25-20/h5,7,10,15,18,20,22H,1-4,6,8-9,11-14,16H2,(H,23,24).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide?
N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 360.50 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 119619503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).