N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide

C22H23N3O2 — CID 58693933

IUPACN-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide
SMILESCCn1c(-c2cccc(NC(=O)C(C)C)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C22H23N3O2/c1-5-25-20-12-17(27-4)9-10-18(20)19(13-23)21(25)15-7-6-8-16(11-15)24-22(26)14(2)3/h6-12,14H,5H2,1-4H3,(H,24,26)
InChIKeyNEPBFORXVVTNRR-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.80
Rot. Bonds5

About N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide

N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide (PubChem CID 58693933) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide
PubChem CID58693933
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide
SMILESCCn1c(-c2cccc(NC(=O)C(C)C)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C22H23N3O2/c1-5-25-20-12-17(27-4)9-10-18(20)19(13-23)21(25)15-7-6-8-16(11-15)24-22(26)14(2)3/h6-12,14H,5H2,1-4H3,(H,24,26)
InChIKeyNEPBFORXVVTNRR-UHFFFAOYSA-N
XLogP4.80
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694220
propyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694159
ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 58694496
(2-methylideneoxolan-3-yl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 143184279
1-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 59576516
2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694187
ethyl N-[3-(3-cyano-1-ethyl-6-methylindol-2-yl)phenyl]carbamate
CID 58039098
ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143185175
1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 58694031
2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
CID 58693880
propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143183965

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide (CID 58693933) is N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide is CCn1c(-c2cccc(NC(=O)C(C)C)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is NEPBFORXVVTNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-5-25-20-12-17(27-4)9-10-18(20)19(13-23)21(25)15-7-6-8-16(11-15)24-22(26)14(2)3/h6-12,14H,5H2,1-4H3,(H,24,26).
What are the key properties of N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide?
N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 361.45 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 58693933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).