(1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide

C17H17NO2 — CID 7343697

IUPAC(1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1OCCc2ccccc21
InChIInChI=1S/C17H17NO2/c19-17(18-12-13-6-2-1-3-7-13)16-15-9-5-4-8-14(15)10-11-20-16/h1-9,16H,10-12H2,(H,18,19)/t16-/m1/s1
InChIKeyWJVUFIGGUFQLKW-MRXNPFEDSA-N
MW267.33 g/mol
LogP2.62
Rot. Bonds3

About (1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide

(1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 7343697) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID7343697
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1OCCc2ccccc21
InChIInChI=1S/C17H17NO2/c19-17(18-12-13-6-2-1-3-7-13)16-15-9-5-4-8-14(15)10-11-20-16/h1-9,16H,10-12H2,(H,18,19)/t16-/m1/s1
InChIKeyWJVUFIGGUFQLKW-MRXNPFEDSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,4-dihydro-1H-isochromene-1-carbonylamino)methyl]benzoic acid
CID 119994931
4-[[[(1S)-3,4-dihydro-1H-isochromene-1-carbonyl]amino]methyl]benzoic acid
CID 124626878
N-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 2969137
N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 44718206
2-[[[(1R)-3,4-dihydro-1H-isochromene-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 99774704
N-(2-amino-2-phenylethyl)-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride
CID 119041543
4-[(3,4-dihydro-1H-isochromene-1-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120541706
N-(3-amino-2,2-difluoropropyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 114383356
3-[(3,4-dihydro-1H-isochromene-1-carbonylamino)methyl]pentanoic acid
CID 81064141
2-(3,4-dihydro-1H-isochromene-1-carbonylamino)-3-hydroxypropanoic acid
CID 54884048
3-[4-(3,4-dihydro-1H-isochromene-1-carbonylamino)phenyl]propanoic acid
CID 119994982
N-[(1-aminocyclohexyl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 119994997

Frequently Asked Questions

What is the IUPAC name of (1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of (1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide (CID 7343697) is (1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for (1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for (1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide is O=C(NCc1ccccc1)[C@@H]1OCCc2ccccc21.
What is the InChIKey of (1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is WJVUFIGGUFQLKW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(18-12-13-6-2-1-3-7-13)16-15-9-5-4-8-14(15)10-11-20-16/h1-9,16H,10-12H2,(H,18,19)/t16-/m1/s1.
What are the key properties of (1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide?
(1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 7343697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).