(1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide

C17H21NO3 — CID 95984877

IUPAC(1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NC[C@@]1(O)CCOc2ccccc21)[C@H]1CC=CCC1
InChIInChI=1S/C17H21NO3/c19-16(13-6-2-1-3-7-13)18-12-17(20)10-11-21-15-9-5-4-8-14(15)17/h1-2,4-5,8-9,13,20H,3,6-7,10-12H2,(H,18,19)/t13-,17-/m0/s1
InChIKeyGCRIKYHPPHQELH-GUYCJALGSA-N
MW287.36 g/mol
LogP2.13
Rot. Bonds3

About (1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 95984877) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID95984877
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NC[C@@]1(O)CCOc2ccccc21)[C@H]1CC=CCC1
InChIInChI=1S/C17H21NO3/c19-16(13-6-2-1-3-7-13)18-12-17(20)10-11-21-15-9-5-4-8-14(15)17/h1-2,4-5,8-9,13,20H,3,6-7,10-12H2,(H,18,19)/t13-,17-/m0/s1
InChIKeyGCRIKYHPPHQELH-GUYCJALGSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide with MolForge

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Related Compounds

(1S)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94626737
(1R)-N-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 95986197
1-(1-adamantyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 90535988
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide
CID 90535803
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90535673
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
CID 71788867
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide
CID 90535759
1-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 71788977
2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide
CID 95984816
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 95984810
2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
CID 94425211
3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide
CID 90535754

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide (CID 95984877) is (1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide is O=C(NC[C@@]1(O)CCOc2ccccc21)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is GCRIKYHPPHQELH-GUYCJALGSA-N. The full InChI is InChI=1S/C17H21NO3/c19-16(13-6-2-1-3-7-13)18-12-17(20)10-11-21-15-9-5-4-8-14(15)17/h1-2,4-5,8-9,13,20H,3,6-7,10-12H2,(H,18,19)/t13-,17-/m0/s1.
What are the key properties of (1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 95984877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).