N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide

C17H24N2O2 — CID 63708325

IUPACN-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNC1CCCCCC1NC(=O)C1CCOc2ccccc21
InChIInChI=1S/C17H24N2O2/c18-14-7-2-1-3-8-15(14)19-17(20)13-10-11-21-16-9-5-4-6-12(13)16/h4-6,9,13-15H,1-3,7-8,10-11,18H2,(H,19,20)
InChIKeyQSYHUXXJXDXDJI-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.33
Rot. Bonds2

About N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide

N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 63708325) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID63708325
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNC1CCCCCC1NC(=O)C1CCOc2ccccc21
InChIInChI=1S/C17H24N2O2/c18-14-7-2-1-3-8-15(14)19-17(20)13-10-11-21-16-9-5-4-6-12(13)16/h4-6,9,13-15H,1-3,7-8,10-11,18H2,(H,19,20)
InChIKeyQSYHUXXJXDXDJI-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709938
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)cyclopentane-1-carboxamide
CID 64824525
(3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124734322
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103759058
N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710270
N-[(1R,2R)-2-aminocyclohexyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 103829364
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282
N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648358
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 114631288
phenyl N-(2-aminocycloheptyl)carbamate
CID 63259010

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 63708325) is N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide is NC1CCCCCC1NC(=O)C1CCOc2ccccc21.
What is the InChIKey of N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is QSYHUXXJXDXDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-14-7-2-1-3-8-15(14)19-17(20)13-10-11-21-16-9-5-4-6-12(13)16/h4-6,9,13-15H,1-3,7-8,10-11,18H2,(H,19,20).
What are the key properties of N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide?
N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 63708325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).