(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide

C26H24N2O2 — CID 92815027

IUPAC(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@H]1COc2ccccc2C1
InChIInChI=1S/C26H24N2O2/c29-26(20-14-19-10-4-7-13-25(19)30-17-20)28-15-22(18-8-2-1-3-9-18)23-16-27-24-12-6-5-11-21(23)24/h1-13,16,20,22,27H,14-15,17H2,(H,28,29)/t20-,22-/m1/s1
InChIKeySHOPYMFHBMHECH-IFMALSPDSA-N
MW396.49 g/mol
LogP4.67
Rot. Bonds5

About (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 92815027) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID92815027
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@H]1COc2ccccc2C1
InChIInChI=1S/C26H24N2O2/c29-26(20-14-19-10-4-7-13-25(19)30-17-20)28-15-22(18-8-2-1-3-9-18)23-16-27-24-12-6-5-11-21(23)24/h1-13,16,20,22,27H,14-15,17H2,(H,28,29)/t20-,22-/m1/s1
InChIKeySHOPYMFHBMHECH-IFMALSPDSA-N
XLogP4.67
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 134044830
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea
CID 38159215
(3R)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2114078
(3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 52511357
(3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide
CID 52508334
1-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 46589659
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
4-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42897587
(4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide
CID 97081227
4-(3,4-dihydro-2H-chromene-3-carbonylamino)-3-methylbutanoic acid
CID 81064741
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 4835102
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 111451003

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 92815027) is (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@H]1COc2ccccc2C1.
What is the InChIKey of (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is SHOPYMFHBMHECH-IFMALSPDSA-N. The full InChI is InChI=1S/C26H24N2O2/c29-26(20-14-19-10-4-7-13-25(19)30-17-20)28-15-22(18-8-2-1-3-9-18)23-16-27-24-12-6-5-11-21(23)24/h1-13,16,20,22,27H,14-15,17H2,(H,28,29)/t20-,22-/m1/s1.
What are the key properties of (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 92815027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).