(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C18H19NO2 — CID 92713196

IUPAC(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1cccc(CNC(=O)[C@@H]2COc3ccccc3C2)c1
InChIInChI=1S/C18H19NO2/c1-13-5-4-6-14(9-13)11-19-18(20)16-10-15-7-2-3-8-17(15)21-12-16/h2-9,16H,10-12H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyHUHSJHMSRQESHX-INIZCTEOSA-N
MW281.36 g/mol
LogP2.86
Rot. Bonds3

About (3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 92713196) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID92713196
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1cccc(CNC(=O)[C@@H]2COc3ccccc3C2)c1
InChIInChI=1S/C18H19NO2/c1-13-5-4-6-14(9-13)11-19-18(20)16-10-15-7-2-3-8-17(15)21-12-16/h2-9,16H,10-12H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyHUHSJHMSRQESHX-INIZCTEOSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
2-[(3,4-dihydro-2H-chromene-3-carbonylamino)methyl]-3-(3-methylphenyl)propanoic acid
CID 119242949
N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46674166
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115577899
(3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97275381
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713220
N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119441088
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
(3R)-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51546919
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 61022270

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 92713196) is (3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is Cc1cccc(CNC(=O)[C@@H]2COc3ccccc3C2)c1.
What is the InChIKey of (3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is HUHSJHMSRQESHX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-5-4-6-14(9-13)11-19-18(20)16-10-15-7-2-3-8-17(15)21-12-16/h2-9,16H,10-12H2,1H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 92713196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).