N-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide

C33H32N2O3 — CID 146316537

IUPACN-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
SMILESCC(C)c1cc(C(=O)Nc2cccc3ccn(C)c23)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C33H32N2O3/c1-23(2)27-19-28(33(36)34-29-16-10-15-26-17-18-35(3)32(26)29)31(38-22-25-13-8-5-9-14-25)20-30(27)37-21-24-11-6-4-7-12-24/h4-20,23H,21-22H2,1-3H3,(H,34,36)
InChIKeyCNXCABRZIFXHGO-UHFFFAOYSA-N
MW504.63 g/mol
LogP7.71
Rot. Bonds9

About N-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide

N-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide (PubChem CID 146316537) has the molecular formula C33H32N2O3 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
PubChem CID146316537
Molecular FormulaC33H32N2O3
Molecular Weight504.63 g/mol
Exact Mass504.24
IUPAC NameN-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
SMILESCC(C)c1cc(C(=O)Nc2cccc3ccn(C)c23)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C33H32N2O3/c1-23(2)27-19-28(33(36)34-29-16-10-15-26-17-18-35(3)32(26)29)31(38-22-25-13-8-5-9-14-25)20-30(27)37-21-24-11-6-4-7-12-24/h4-20,23H,21-22H2,1-3H3,(H,34,36)
InChIKeyCNXCABRZIFXHGO-UHFFFAOYSA-N
XLogP7.71
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 146316459
2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 135336963
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 135336988
N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]acetamide
CID 66986539
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17093436
5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17094328
methyl 2-[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-1,3-dihydroisoindole-5-carboxylate
CID 46914878
3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4675114
2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098011
3-ethoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17093571
3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54827989
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide?
The IUPAC name of N-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide (CID 146316537) is N-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide.
What is the SMILES notation for N-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide?
The canonical SMILES for N-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide is CC(C)c1cc(C(=O)Nc2cccc3ccn(C)c23)c(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of N-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide?
The InChIKey is CNXCABRZIFXHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O3/c1-23(2)27-19-28(33(36)34-29-16-10-15-26-17-18-35(3)32(26)29)31(38-22-25-13-8-5-9-14-25)20-30(27)37-21-24-11-6-4-7-12-24/h4-20,23H,21-22H2,1-3H3,(H,34,36).
What are the key properties of N-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide?
N-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide has a molecular weight of 504.63 g/mol, XLogP of 7.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide is sourced from PubChem (CID 146316537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).