N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]-2H-chromene-8-carboxamide

C30H26N2O4 — CID 24959109

IUPACN-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]-2H-chromene-8-carboxamide
SMILESCOc1ccccc1C#Cc1cc2c(c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c1)OCC=C2
InChIInChI=1S/C30H26N2O4/c1-35-28-11-5-2-7-21(28)13-12-20-15-22-8-6-14-36-29(22)26(16-20)30(34)32-24(19-33)17-23-18-31-27-10-4-3-9-25(23)27/h2-11,15-16,18,24,31,33H,14,17,19H2,1H3,(H,32,34)/t24-/m1/s1
InChIKeyNOGGRKIJXISCDN-XMMPIXPASA-N
MW478.55 g/mol
LogP4.32
Rot. Bonds6

About N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]-2H-chromene-8-carboxamide

N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]-2H-chromene-8-carboxamide (PubChem CID 24959109) has the molecular formula C30H26N2O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]-2H-chromene-8-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]-2H-chromene-8-carboxamide
PubChem CID24959109
Molecular FormulaC30H26N2O4
Molecular Weight478.55 g/mol
Exact Mass478.19
IUPAC NameN-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]-2H-chromene-8-carboxamide
SMILESCOc1ccccc1C#Cc1cc2c(c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c1)OCC=C2
InChIInChI=1S/C30H26N2O4/c1-35-28-11-5-2-7-21(28)13-12-20-15-22-8-6-14-36-29(22)26(16-20)30(34)32-24(19-33)17-23-18-31-27-10-4-3-9-25(23)27/h2-11,15-16,18,24,31,33H,14,17,19H2,1H3,(H,32,34)/t24-/m1/s1
InChIKeyNOGGRKIJXISCDN-XMMPIXPASA-N
XLogP4.32
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methylphenyl)ethynyl]-2H-chromene-8-carboxamide
CID 24959107
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]quinoline-8-carboxamide
CID 25127742
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,2-dimethyl-6-[2-[4-(methylcarbamoyl)phenyl]ethynyl]chromene-8-carboxamide
CID 59786687
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-[2-(2,4,5-trimethylphenyl)ethynyl]benzamide
CID 25123125
methyl (2R)-3-(1H-indol-3-yl)-2-[[5-[2-(2-methoxyphenyl)ethynyl]-2-propan-2-yloxybenzoyl]amino]propanoate
CID 69121697
5-[2-(4-cyanophenyl)ethynyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxybenzamide
CID 59804463
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[2-(3-hydroxyphenyl)ethynyl]-2-propan-2-yloxybenzamide
CID 59804448
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-(2-pyridin-2-ylethynyl)benzamide
CID 74388973
2-ethoxy-5-ethynyl-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 25127425
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-methoxy-5-(3-methoxyphenyl)benzamide
CID 58831850
2-bromo-5-[3-(dimethylamino)prop-1-ynyl]-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 74428984
2-bromo-5-[3-(dimethylamino)prop-1-ynyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 25207386

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]-2H-chromene-8-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]-2H-chromene-8-carboxamide (CID 24959109) is N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]-2H-chromene-8-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]-2H-chromene-8-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]-2H-chromene-8-carboxamide is COc1ccccc1C#Cc1cc2c(c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c1)OCC=C2.
What is the InChIKey of N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]-2H-chromene-8-carboxamide?
The InChIKey is NOGGRKIJXISCDN-XMMPIXPASA-N. The full InChI is InChI=1S/C30H26N2O4/c1-35-28-11-5-2-7-21(28)13-12-20-15-22-8-6-14-36-29(22)26(16-20)30(34)32-24(19-33)17-23-18-31-27-10-4-3-9-25(23)27/h2-11,15-16,18,24,31,33H,14,17,19H2,1H3,(H,32,34)/t24-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]-2H-chromene-8-carboxamide?
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]-2H-chromene-8-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-[2-(2-methoxyphenyl)ethynyl]-2H-chromene-8-carboxamide is sourced from PubChem (CID 24959109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).