N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide

C20H21N3O2 — CID 30378480

IUPACN-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3cccc(C(=O)N(C)C)c3)cc2c1C
InChIInChI=1S/C20H21N3O2/c1-12-13(2)21-18-9-8-14(11-17(12)18)19(24)22-16-7-5-6-15(10-16)20(25)23(3)4/h5-11,21H,1-4H3,(H,22,24)
InChIKeyKUTPRUSPMQOZQL-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.74
Rot. Bonds3

About N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide

N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 30378480) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID30378480
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3cccc(C(=O)N(C)C)c3)cc2c1C
InChIInChI=1S/C20H21N3O2/c1-12-13(2)21-18-9-8-14(11-17(12)18)19(24)22-16-7-5-6-15(10-16)20(25)23(3)4/h5-11,21H,1-4H3,(H,22,24)
InChIKeyKUTPRUSPMQOZQL-UHFFFAOYSA-N
XLogP3.74
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoic acid
CID 23474692
N-(3-fluorophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26579048
N-[3-(butanoylamino)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 87040999
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
N-[3-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide
CID 30379250
N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17231812
N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide
CID 46823002
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 34745053
N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26581665
propan-2-yl 4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoate
CID 18288127

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide (CID 30378480) is N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)Nc3cccc(C(=O)N(C)C)c3)cc2c1C.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is KUTPRUSPMQOZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-12-13(2)21-18-9-8-14(11-17(12)18)19(24)22-16-7-5-6-15(10-16)20(25)23(3)4/h5-11,21H,1-4H3,(H,22,24).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 30378480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).