N-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-carboxamide

C19H20N2O — CID 91327650

IUPACN-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-carboxamide
SMILESCC[C@H](NC(=O)C1C=NCc2ccccc21)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-2-18(14-8-4-3-5-9-14)21-19(22)17-13-20-12-15-10-6-7-11-16(15)17/h3-11,13,17-18H,2,12H2,1H3,(H,21,22)/t17?,18-/m0/s1
InChIKeyRSYXMODZCSKTFV-ZVAWYAOSSA-N
MW292.38 g/mol
LogP3.62
Rot. Bonds4

About N-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-carboxamide

N-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-carboxamide (PubChem CID 91327650) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-carboxamide
PubChem CID91327650
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-carboxamide
SMILESCC[C@H](NC(=O)C1C=NCc2ccccc21)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-2-18(14-8-4-3-5-9-14)21-19(22)17-13-20-12-15-10-6-7-11-16(15)17/h3-11,13,17-18H,2,12H2,1H3,(H,21,22)/t17?,18-/m0/s1
InChIKeyRSYXMODZCSKTFV-ZVAWYAOSSA-N
XLogP3.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-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-[(1S)-1-(4-fluorophenyl)propyl]-1,4-dihydroisoquinoline-4-carboxamide
CID 90867478
1-methyl-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 50875269
6-(1-phenylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 17281542
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
6-acetyl-N-(1-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949112
2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide
CID 113250858
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-(1-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119279865
(1S,2S,3S,4R)-3-[[(1S)-1-phenylpropyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11861214
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
N'-[(1R)-2-methyl-1-phenylpropyl]-N-[(1R)-1-phenylpropyl]oxamide
CID 124846210
(3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 99970401

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of N-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-carboxamide (CID 91327650) is N-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for N-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-carboxamide is CC[C@H](NC(=O)C1C=NCc2ccccc21)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is RSYXMODZCSKTFV-ZVAWYAOSSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-18(14-8-4-3-5-9-14)21-19(22)17-13-20-12-15-10-6-7-11-16(15)17/h3-11,13,17-18H,2,12H2,1H3,(H,21,22)/t17?,18-/m0/s1.
What are the key properties of N-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-carboxamide?
N-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 91327650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).