1,3-dimethyl-N-propan-2-ylindole-2-carboxamide

C14H18N2O — CID 113204328

IUPAC1,3-dimethyl-N-propan-2-ylindole-2-carboxamide
SMILESCc1c(C(=O)NC(C)C)n(C)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-9(2)15-14(17)13-10(3)11-7-5-6-8-12(11)16(13)4/h5-9H,1-4H3,(H,15,17)
InChIKeySITBCBSVHMGREI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.62
Rot. Bonds2

About 1,3-dimethyl-N-propan-2-ylindole-2-carboxamide

1,3-dimethyl-N-propan-2-ylindole-2-carboxamide (PubChem CID 113204328) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1,3-dimethyl-N-propan-2-ylindole-2-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-propan-2-ylindole-2-carboxamide
PubChem CID113204328
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1,3-dimethyl-N-propan-2-ylindole-2-carboxamide
SMILESCc1c(C(=O)NC(C)C)n(C)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-9(2)15-14(17)13-10(3)11-7-5-6-8-12(11)16(13)4/h5-9H,1-4H3,(H,15,17)
InChIKeySITBCBSVHMGREI-UHFFFAOYSA-N
XLogP2.62
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
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-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide
CID 113204340
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450
N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204429
N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204445
N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204438
1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97441822
1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide
CID 113204473
ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144
5-methoxy-1,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]indole-2-carboxamide
CID 51597036
3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide
CID 52537910
tert-butyl 3-[[(2S)-2-[(1,3-dimethylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoate
CID 86756370
2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone
CID 83860125

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-propan-2-ylindole-2-carboxamide?
The IUPAC name of 1,3-dimethyl-N-propan-2-ylindole-2-carboxamide (CID 113204328) is 1,3-dimethyl-N-propan-2-ylindole-2-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-propan-2-ylindole-2-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-propan-2-ylindole-2-carboxamide is Cc1c(C(=O)NC(C)C)n(C)c2ccccc12.
What is the InChIKey of 1,3-dimethyl-N-propan-2-ylindole-2-carboxamide?
The InChIKey is SITBCBSVHMGREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(2)15-14(17)13-10(3)11-7-5-6-8-12(11)16(13)4/h5-9H,1-4H3,(H,15,17).
What are the key properties of 1,3-dimethyl-N-propan-2-ylindole-2-carboxamide?
1,3-dimethyl-N-propan-2-ylindole-2-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-propan-2-ylindole-2-carboxamide is sourced from PubChem (CID 113204328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).