4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide

C22H22N2O3 — CID 89147467

IUPAC4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide
SMILESCc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2c1cc(C=O)n2C
InChIInChI=1S/C22H22N2O3/c1-14-19-11-17(12-25)24(2)21(19)10-9-20(14)23-22(26)16-5-7-18(8-6-16)27-13-15-3-4-15/h5-12,15H,3-4,13H2,1-2H3,(H,23,26)
InChIKeyUFPROVJIUIFGIO-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.34
Rot. Bonds6

About 4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide

4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide (PubChem CID 89147467) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide
PubChem CID89147467
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide
SMILESCc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2c1cc(C=O)n2C
InChIInChI=1S/C22H22N2O3/c1-14-19-11-17(12-25)24(2)21(19)10-9-20(14)23-22(26)16-5-7-18(8-6-16)27-13-15-3-4-15/h5-12,15H,3-4,13H2,1-2H3,(H,23,26)
InChIKeyUFPROVJIUIFGIO-UHFFFAOYSA-N
XLogP4.34
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylmethoxy)benzoic acid;methyl 5-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-dimethylindole-2-carboxylate
CID 161058773
N-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide
CID 87126681
4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119439579
4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide
CID 70968028
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 119214222
4-(cyclopropylmethoxy)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18435902
N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119421075
4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide
CID 58111716
ethyl 5-amino-1-methylindole-2-carboxylate;ethyl 5-[[4-(cyclopropylmethoxy)benzoyl]amino]-1-methylindole-2-carboxylate
CID 161003594
4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide
CID 70967908
methyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate
CID 70968014

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide (CID 89147467) is 4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide is Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2c1cc(C=O)n2C.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide?
The InChIKey is UFPROVJIUIFGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-14-19-11-17(12-25)24(2)21(19)10-9-20(14)23-22(26)16-5-7-18(8-6-16)27-13-15-3-4-15/h5-12,15H,3-4,13H2,1-2H3,(H,23,26).
What are the key properties of 4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide?
4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide has a molecular weight of 362.43 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide is sourced from PubChem (CID 89147467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).