N-(2-formyl-4-methoxy-5-phenylmethoxyphenyl)-N-[(1-methyl-2,3-dihydroindol-2-yl)methyl]formamide

C26H26N2O4 — CID 155174628

IUPACN-(2-formyl-4-methoxy-5-phenylmethoxyphenyl)-N-[(1-methyl-2,3-dihydroindol-2-yl)methyl]formamide
SMILESCOc1cc(C=O)c(N(C=O)CC2Cc3ccccc3N2C)cc1OCc1ccccc1
InChIInChI=1S/C26H26N2O4/c1-27-22(12-20-10-6-7-11-23(20)27)15-28(18-30)24-14-26(25(31-2)13-21(24)16-29)32-17-19-8-4-3-5-9-19/h3-11,13-14,16,18,22H,12,15,17H2,1-2H3
InChIKeyRBAASCUCBMRTDU-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.11
Rot. Bonds9

About N-(2-formyl-4-methoxy-5-phenylmethoxyphenyl)-N-[(1-methyl-2,3-dihydroindol-2-yl)methyl]formamide

N-(2-formyl-4-methoxy-5-phenylmethoxyphenyl)-N-[(1-methyl-2,3-dihydroindol-2-yl)methyl]formamide (PubChem CID 155174628) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-(2-formyl-4-methoxy-5-phenylmethoxyphenyl)-N-[(1-methyl-2,3-dihydroindol-2-yl)methyl]formamide.

Molecular Properties

Compound NameN-(2-formyl-4-methoxy-5-phenylmethoxyphenyl)-N-[(1-methyl-2,3-dihydroindol-2-yl)methyl]formamide
PubChem CID155174628
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC NameN-(2-formyl-4-methoxy-5-phenylmethoxyphenyl)-N-[(1-methyl-2,3-dihydroindol-2-yl)methyl]formamide
SMILESCOc1cc(C=O)c(N(C=O)CC2Cc3ccccc3N2C)cc1OCc1ccccc1
InChIInChI=1S/C26H26N2O4/c1-27-22(12-20-10-6-7-11-23(20)27)15-28(18-30)24-14-26(25(31-2)13-21(24)16-29)32-17-19-8-4-3-5-9-19/h3-11,13-14,16,18,22H,12,15,17H2,1-2H3
InChIKeyRBAASCUCBMRTDU-UHFFFAOYSA-N
XLogP4.11
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(cyclohexa-1,5-dien-1-ylmethoxy)-2-formyl-4-methoxyphenyl]-N-[(1-methyl-2,3-dihydroindol-2-yl)methyl]formamide;ethane;4-methoxyaniline
CID 155704651
N'-[2-formyl-5-[5-[5-[[(2S)-1-formyl-2,3-dihydroindol-2-yl]methylideneamino]-2-methoxy-4-methylphenoxy]pentoxy]-4-methoxyphenyl]-N'-[(1-methyl-2,3-dihydroindol-2-yl)methyl]butanediamide
CID 154934226
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
4-[[3-(chloromethyl)-5-nitrophenyl]methoxy]-5-methoxy-2-[(1-methyl-2,3-dihydroindol-2-yl)methylideneamino]benzaldehyde
CID 145236794
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
(3S)-2-(5-methoxy-2-nitro-4-phenylmethoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carbaldehyde
CID 142459607
2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde
CID 890667
(2-amino-5-methoxy-4-phenylmethoxyphenyl)-[(3S)-3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 139573173
4-[5-(4-formyl-5-nitro-2-phenylmethoxyphenoxy)pentoxy]-5-methoxy-2-nitrobenzaldehyde
CID 90421178
N-[5-[[3-[(5-formamido-2-methoxy-4-methylphenoxy)methyl]-5-[methyl(4-oxopentyl)amino]phenyl]methoxy]-2-formyl-4-methoxyphenyl]-1-methyl-2,3-dihydroindole-2-carboxamide
CID 154934326
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954

Frequently Asked Questions

What is the IUPAC name of N-(2-formyl-4-methoxy-5-phenylmethoxyphenyl)-N-[(1-methyl-2,3-dihydroindol-2-yl)methyl]formamide?
The IUPAC name of N-(2-formyl-4-methoxy-5-phenylmethoxyphenyl)-N-[(1-methyl-2,3-dihydroindol-2-yl)methyl]formamide (CID 155174628) is N-(2-formyl-4-methoxy-5-phenylmethoxyphenyl)-N-[(1-methyl-2,3-dihydroindol-2-yl)methyl]formamide.
What is the SMILES notation for N-(2-formyl-4-methoxy-5-phenylmethoxyphenyl)-N-[(1-methyl-2,3-dihydroindol-2-yl)methyl]formamide?
The canonical SMILES for N-(2-formyl-4-methoxy-5-phenylmethoxyphenyl)-N-[(1-methyl-2,3-dihydroindol-2-yl)methyl]formamide is COc1cc(C=O)c(N(C=O)CC2Cc3ccccc3N2C)cc1OCc1ccccc1.
What is the InChIKey of N-(2-formyl-4-methoxy-5-phenylmethoxyphenyl)-N-[(1-methyl-2,3-dihydroindol-2-yl)methyl]formamide?
The InChIKey is RBAASCUCBMRTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-27-22(12-20-10-6-7-11-23(20)27)15-28(18-30)24-14-26(25(31-2)13-21(24)16-29)32-17-19-8-4-3-5-9-19/h3-11,13-14,16,18,22H,12,15,17H2,1-2H3.
What are the key properties of N-(2-formyl-4-methoxy-5-phenylmethoxyphenyl)-N-[(1-methyl-2,3-dihydroindol-2-yl)methyl]formamide?
N-(2-formyl-4-methoxy-5-phenylmethoxyphenyl)-N-[(1-methyl-2,3-dihydroindol-2-yl)methyl]formamide has a molecular weight of 430.50 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formyl-4-methoxy-5-phenylmethoxyphenyl)-N-[(1-methyl-2,3-dihydroindol-2-yl)methyl]formamide is sourced from PubChem (CID 155174628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).