N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-phenyl-9,10-dihydrophenanthrene-3-carboxamide

C35H34N2O5 — CID 78092261

IUPACN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-phenyl-9,10-dihydrophenanthrene-3-carboxamide
SMILESCOc1cc2c(c(OC)c1OC)CCc1cc(-c3ccccc3)c(C(=O)NC(CO)Cc3c[nH]c4ccccc34)cc1-2
InChIInChI=1S/C35H34N2O5/c1-40-32-18-29-26(33(41-2)34(32)42-3)14-13-22-16-27(21-9-5-4-6-10-21)30(17-28(22)29)35(39)37-24(20-38)15-23-19-36-31-12-8-7-11-25(23)31/h4-12,16-19,24,36,38H,13-15,20H2,1-3H3,(H,37,39)
InChIKeyDMOPLGIITCVLQX-UHFFFAOYSA-N
MW562.67 g/mol
LogP5.96
Rot. Bonds9

About N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-phenyl-9,10-dihydrophenanthrene-3-carboxamide

N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-phenyl-9,10-dihydrophenanthrene-3-carboxamide (PubChem CID 78092261) has the molecular formula C35H34N2O5 and a molecular weight of 562.67 g/mol. Its IUPAC name is N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-phenyl-9,10-dihydrophenanthrene-3-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-phenyl-9,10-dihydrophenanthrene-3-carboxamide
PubChem CID78092261
Molecular FormulaC35H34N2O5
Molecular Weight562.67 g/mol
Exact Mass562.25
IUPAC NameN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-phenyl-9,10-dihydrophenanthrene-3-carboxamide
SMILESCOc1cc2c(c(OC)c1OC)CCc1cc(-c3ccccc3)c(C(=O)NC(CO)Cc3c[nH]c4ccccc34)cc1-2
InChIInChI=1S/C35H34N2O5/c1-40-32-18-29-26(33(41-2)34(32)42-3)14-13-22-16-27(21-9-5-4-6-10-21)30(17-28(22)29)35(39)37-24(20-38)15-23-19-36-31-12-8-7-11-25(23)31/h4-12,16-19,24,36,38H,13-15,20H2,1-3H3,(H,37,39)
InChIKeyDMOPLGIITCVLQX-UHFFFAOYSA-N
XLogP5.96
TPSA92.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxamide
CID 90387025
2-(3-carbamoylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxamide
CID 71534997
[3-[[1-[tert-butyl(dimethyl)silyl]oxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-6,7,8-trimethoxy-9,10-dihydrophenanthren-2-yl] trifluoromethanesulfonate
CID 89464353
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7-dimethoxy-2-pentan-2-yloxy-9,10-dihydrophenanthrene-3-carboxamide
CID 89464312
3-(3-fluorophenyl)-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-7,8,9-trimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide
CID 78103009
6-cyano-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-7-methoxy-2-propan-2-yloxy-9,10-dihydrophenanthrene-3-carboxamide
CID 71538926
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide
CID 71537495
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-methoxy-5-(3-methoxyphenyl)benzamide
CID 58831850
3-(3,5-dimethylphenyl)-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide
CID 78103223
3-(2,3-difluorophenyl)-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-6H-benzo[c]chromene-2-carboxamide
CID 78102677
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-[(Z)-3-methoxyprop-1-enyl]-5-(3,4,5-trimethoxyphenyl)benzamide
CID 58832197
3-(3-fluorophenyl)-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-5,6-dihydroimidazo[2,1-a]isoquinoline-2-carboxamide
CID 78103121

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-phenyl-9,10-dihydrophenanthrene-3-carboxamide?
The IUPAC name of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-phenyl-9,10-dihydrophenanthrene-3-carboxamide (CID 78092261) is N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-phenyl-9,10-dihydrophenanthrene-3-carboxamide.
What is the SMILES notation for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-phenyl-9,10-dihydrophenanthrene-3-carboxamide?
The canonical SMILES for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-phenyl-9,10-dihydrophenanthrene-3-carboxamide is COc1cc2c(c(OC)c1OC)CCc1cc(-c3ccccc3)c(C(=O)NC(CO)Cc3c[nH]c4ccccc34)cc1-2.
What is the InChIKey of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-phenyl-9,10-dihydrophenanthrene-3-carboxamide?
The InChIKey is DMOPLGIITCVLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2O5/c1-40-32-18-29-26(33(41-2)34(32)42-3)14-13-22-16-27(21-9-5-4-6-10-21)30(17-28(22)29)35(39)37-24(20-38)15-23-19-36-31-12-8-7-11-25(23)31/h4-12,16-19,24,36,38H,13-15,20H2,1-3H3,(H,37,39).
What are the key properties of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-phenyl-9,10-dihydrophenanthrene-3-carboxamide?
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-phenyl-9,10-dihydrophenanthrene-3-carboxamide has a molecular weight of 562.67 g/mol, XLogP of 5.96, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8-trimethoxy-2-phenyl-9,10-dihydrophenanthrene-3-carboxamide is sourced from PubChem (CID 78092261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).