N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

C17H21NO3 — CID 109481310

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCC2(O)CCc3ccccc32)CCCO1
InChIInChI=1S/C17H21NO3/c1-12-14(6-4-10-21-12)16(19)18-11-17(20)9-8-13-5-2-3-7-15(13)17/h2-3,5,7,20H,4,6,8-11H2,1H3,(H,18,19)
InChIKeyKVPNLTSOMRAREZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.02
Rot. Bonds3

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 109481310) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID109481310
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCC2(O)CCc3ccccc32)CCCO1
InChIInChI=1S/C17H21NO3/c1-12-14(6-4-10-21-12)16(19)18-11-17(20)9-8-13-5-2-3-7-15(13)17/h2-3,5,7,20H,4,6,8-11H2,1H3,(H,18,19)
InChIKeyKVPNLTSOMRAREZ-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
CID 90499012
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 95983066
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 95177201
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]naphthalene-1-carboxamide
CID 95983093
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide
CID 71782124
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea
CID 90499217
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 109478199
3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 95983082
2-fluoro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylbenzamide
CID 111780826
2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 97240651

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 109481310) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is CC1=C(C(=O)NCC2(O)CCc3ccccc32)CCCO1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is KVPNLTSOMRAREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-14(6-4-10-21-12)16(19)18-11-17(20)9-8-13-5-2-3-7-15(13)17/h2-3,5,7,20H,4,6,8-11H2,1H3,(H,18,19).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 109481310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).