N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H23NO3 — CID 64867410

IUPACN-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1COc2ccccc2C1
InChIInChI=1S/C17H23NO3/c19-16(18-12-17(20)8-4-1-5-9-17)14-10-13-6-2-3-7-15(13)21-11-14/h2-3,6-7,14,20H,1,4-5,8-12H2,(H,18,19)
InChIKeySHEDDPOWHYPZMS-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.05
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 64867410) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID64867410
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1COc2ccccc2C1
InChIInChI=1S/C17H23NO3/c19-16(18-12-17(20)8-4-1-5-9-17)14-10-13-6-2-3-7-15(13)21-11-14/h2-3,6-7,14,20H,1,4-5,8-12H2,(H,18,19)
InChIKeySHEDDPOWHYPZMS-UHFFFAOYSA-N
XLogP2.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115362407
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134015589
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-(1-cyanocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60704683
N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63589285
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-(4-cyanobutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63284588
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-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 106123604
(3S)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 94020742

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 64867410) is N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NCC1(O)CCCCC1)C1COc2ccccc2C1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is SHEDDPOWHYPZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16(18-12-17(20)8-4-1-5-9-17)14-10-13-6-2-3-7-15(13)21-11-14/h2-3,6-7,14,20H,1,4-5,8-12H2,(H,18,19).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 289.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 64867410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).