(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

C17H17NO3 — CID 40840529

IUPAC(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@@H]2COc3ccccc3C2)c1
InChIInChI=1S/C17H17NO3/c1-20-15-7-4-6-14(10-15)18-17(19)13-9-12-5-2-3-8-16(12)21-11-13/h2-8,10,13H,9,11H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyKXINSLKGBOTXDT-ZDUSSCGKSA-N
MW283.33 g/mol
LogP2.88
Rot. Bonds3

About (3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 40840529) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID40840529
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@@H]2COc3ccccc3C2)c1
InChIInChI=1S/C17H17NO3/c1-20-15-7-4-6-14(10-15)18-17(19)13-9-12-5-2-3-8-16(12)21-11-13/h2-8,10,13H,9,11H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyKXINSLKGBOTXDT-ZDUSSCGKSA-N
XLogP2.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648344
(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
(3S)-N-(3-pyridazin-3-yloxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 124607438
7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49158782
ethyl 3-(3,4-dihydro-2H-chromene-3-carbonylamino)benzoate
CID 134041128
N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119441088
methyl 4-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]benzoate
CID 9243838
N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041040
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628
6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 112821465
(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95153639
N-[3-(1,3-dithian-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041326

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 40840529) is (3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide is COc1cccc(NC(=O)[C@@H]2COc3ccccc3C2)c1.
What is the InChIKey of (3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is KXINSLKGBOTXDT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-15-7-4-6-14(10-15)18-17(19)13-9-12-5-2-3-8-16(12)21-11-13/h2-8,10,13H,9,11H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 40840529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).