N,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide

C17H23N3O2 — CID 31750558

IUPACN,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(C)CC(=O)NC(C)C)cc2c1C
InChIInChI=1S/C17H23N3O2/c1-10(2)18-16(21)9-20(5)17(22)13-6-7-15-14(8-13)11(3)12(4)19-15/h6-8,10,19H,9H2,1-5H3,(H,18,21)
InChIKeyIKDBEBFDUDEBTB-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.38
Rot. Bonds4

About N,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide

N,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide (PubChem CID 31750558) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide
PubChem CID31750558
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(C)CC(=O)NC(C)C)cc2c1C
InChIInChI=1S/C17H23N3O2/c1-10(2)18-16(21)9-20(5)17(22)13-6-7-15-14(8-13)11(3)12(4)19-15/h6-8,10,19H,9H2,1-5H3,(H,18,21)
InChIKeyIKDBEBFDUDEBTB-UHFFFAOYSA-N
XLogP2.38
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.38
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

N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide
CID 46823002
N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide
CID 43430184
N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide
CID 34909087
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-ylbenzamide
CID 9475393
4-iodo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 31749087
2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 61409406
2-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-3-methylbutanoic acid
CID 43109582
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 102684977
N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 63836824
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 60937969
4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9475425

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide?
The IUPAC name of N,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide (CID 31750558) is N,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide?
The canonical SMILES for N,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)N(C)CC(=O)NC(C)C)cc2c1C.
What is the InChIKey of N,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide?
The InChIKey is IKDBEBFDUDEBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-10(2)18-16(21)9-20(5)17(22)13-6-7-15-14(8-13)11(3)12(4)19-15/h6-8,10,19H,9H2,1-5H3,(H,18,21).
What are the key properties of N,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide?
N,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 31750558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).