N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C21H24N2O2 — CID 122139331

IUPACN-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NC[C@@H]1CCO[C@H]1c1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C21H24N2O2/c24-21(23-12-10-16-6-4-5-9-19(16)15-23)22-14-18-11-13-25-20(18)17-7-2-1-3-8-17/h1-9,18,20H,10-15H2,(H,22,24)/t18-,20-/m0/s1
InChIKeyKJHHQMPZTFEMHU-ICSRJNTNSA-N
MW336.43 g/mol
LogP3.53
Rot. Bonds3

About N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 122139331) has the molecular formula C21H24N2O2 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID122139331
Molecular FormulaC21H24N2O2
Molecular Weight336.43 g/mol
Exact Mass336.18
IUPAC NameN-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NC[C@@H]1CCO[C@H]1c1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C21H24N2O2/c24-21(23-12-10-16-6-4-5-9-19(16)15-23)22-14-18-11-13-25-20(18)17-7-2-1-3-8-17/h1-9,18,20H,10-15H2,(H,22,24)/t18-,20-/m0/s1
InChIKeyKJHHQMPZTFEMHU-ICSRJNTNSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-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-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 94021427
(3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide
CID 129400499
4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701781
1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129336295
1-[3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid
CID 119349582
N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 16645751
cis-(1S,2R)-2-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 129402634
(2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 129328039
N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108888580
N-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108864780
1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129331695
4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide
CID 86869244

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 122139331) is N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)N1CCc2ccccc2C1.
What is the InChIKey of N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is KJHHQMPZTFEMHU-ICSRJNTNSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-21(23-12-10-16-6-4-5-9-19(16)15-23)22-14-18-11-13-25-20(18)17-7-2-1-3-8-17/h1-9,18,20H,10-15H2,(H,22,24)/t18-,20-/m0/s1.
What are the key properties of N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 122139331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).