N-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H24N2O2 — CID 106123604

IUPACN-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNC1CCCC(CNC(=O)C2COc3ccccc3C2)C1
InChIInChI=1S/C17H24N2O2/c18-15-6-3-4-12(8-15)10-19-17(20)14-9-13-5-1-2-7-16(13)21-11-14/h1-2,5,7,12,14-15H,3-4,6,8-11,18H2,(H,19,20)
InChIKeyQBTSISMOEXDJKK-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.87
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 106123604) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID106123604
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNC1CCCC(CNC(=O)C2COc3ccccc3C2)C1
InChIInChI=1S/C17H24N2O2/c18-15-6-3-4-12(8-15)10-19-17(20)14-9-13-5-1-2-7-16(13)21-11-14/h1-2,5,7,12,14-15H,3-4,6,8-11,18H2,(H,19,20)
InChIKeyQBTSISMOEXDJKK-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
(3S)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 94020742
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64867410
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-(4-hydroxybutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106843420
N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 113227517
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115362407
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115577899
cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 55429666
4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764
N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide
CID 106123693

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 106123604) is N-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is NC1CCCC(CNC(=O)C2COc3ccccc3C2)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is QBTSISMOEXDJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-15-6-3-4-12(8-15)10-19-17(20)14-9-13-5-1-2-7-16(13)21-11-14/h1-2,5,7,12,14-15H,3-4,6,8-11,18H2,(H,19,20).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 106123604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).