(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide

C17H17NO2 — CID 9243365

IUPAC(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1COc2ccccc2C1
InChIInChI=1S/C17H17NO2/c19-17(18-11-13-6-2-1-3-7-13)15-10-14-8-4-5-9-16(14)20-12-15/h1-9,15H,10-12H2,(H,18,19)/t15-/m1/s1
InChIKeyZZOJHQRLPUEGAV-OAHLLOKOSA-N
MW267.33 g/mol
LogP2.55
Rot. Bonds3

About (3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 9243365) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID9243365
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1COc2ccccc2C1
InChIInChI=1S/C17H17NO2/c19-17(18-11-13-6-2-1-3-7-13)15-10-14-8-4-5-9-16(14)20-12-15/h1-9,15H,10-12H2,(H,18,19)/t15-/m1/s1
InChIKeyZZOJHQRLPUEGAV-OAHLLOKOSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115577899
(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713196
(3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97275381
(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713220
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46494494
(3R)-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51546919
5-[(3,4-dihydro-2H-chromene-3-carbonylamino)methyl]thiophene-2-carboxylic acid
CID 122111115
N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46674166
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 9243365) is (3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NCc1ccccc1)[C@H]1COc2ccccc2C1.
What is the InChIKey of (3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ZZOJHQRLPUEGAV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(18-11-13-6-2-1-3-7-13)15-10-14-8-4-5-9-16(14)20-12-15/h1-9,15H,10-12H2,(H,18,19)/t15-/m1/s1.
What are the key properties of (3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 9243365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).