N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide

C22H27N3O2 — CID 86898701

IUPACN-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3ccc(OCCCN(C)C)cc3)cc2c1C
InChIInChI=1S/C22H27N3O2/c1-15-16(2)23-21-11-6-17(14-20(15)21)22(26)24-18-7-9-19(10-8-18)27-13-5-12-25(3)4/h6-11,14,23H,5,12-13H2,1-4H3,(H,24,26)
InChIKeyVESTXEPSOKGOFU-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.37
Rot. Bonds7

About N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide

N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 86898701) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID86898701
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3ccc(OCCCN(C)C)cc3)cc2c1C
InChIInChI=1S/C22H27N3O2/c1-15-16(2)23-21-11-6-17(14-20(15)21)22(26)24-18-7-9-19(10-8-18)27-13-5-12-25(3)4/h6-11,14,23H,5,12-13H2,1-4H3,(H,24,26)
InChIKeyVESTXEPSOKGOFU-UHFFFAOYSA-N
XLogP4.37
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide
CID 86898203
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide
CID 86938312
propan-2-yl 4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoate
CID 18288127
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide
CID 86898199
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 51114178
N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 30503002
4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898305
N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 30378480
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
methyl N-[4-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 60517718
4-(difluoromethylsulfonyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898286
N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 86898727

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide (CID 86898701) is N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)Nc3ccc(OCCCN(C)C)cc3)cc2c1C.
What is the InChIKey of N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is VESTXEPSOKGOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-16(2)23-21-11-6-17(14-20(15)21)22(26)24-18-7-9-19(10-8-18)27-13-5-12-25(3)4/h6-11,14,23H,5,12-13H2,1-4H3,(H,24,26).
What are the key properties of N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 86898701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).