N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide

C21H24N2O2 — CID 53159955

IUPACN-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
SMILESCCC(=O)N1CCc2c(C(=O)NCc3cc(C)ccc3C)cccc21
InChIInChI=1S/C21H24N2O2/c1-4-20(24)23-11-10-17-18(6-5-7-19(17)23)21(25)22-13-16-12-14(2)8-9-15(16)3/h5-9,12H,4,10-11,13H2,1-3H3,(H,22,25)
InChIKeyHMKCMPFVFXIPTD-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.53
Rot. Bonds4

About N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide

N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide (PubChem CID 53159955) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
PubChem CID53159955
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
SMILESCCC(=O)N1CCc2c(C(=O)NCc3cc(C)ccc3C)cccc21
InChIInChI=1S/C21H24N2O2/c1-4-20(24)23-11-10-17-18(6-5-7-19(17)23)21(25)22-13-16-12-14(2)8-9-15(16)3/h5-9,12H,4,10-11,13H2,1-3H3,(H,22,25)
InChIKeyHMKCMPFVFXIPTD-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159918
N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159946
1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide
CID 53159942
N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159922
2,3-dichloro-N-[(2,5-dimethylphenyl)methyl]benzamide
CID 23019861
N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080849
N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide
CID 53159991
1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
CID 53159994
1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160081
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide
CID 53160123

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide (CID 53159955) is N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide is CCC(=O)N1CCc2c(C(=O)NCc3cc(C)ccc3C)cccc21.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide?
The InChIKey is HMKCMPFVFXIPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-20(24)23-11-10-17-18(6-5-7-19(17)23)21(25)22-13-16-12-14(2)8-9-15(16)3/h5-9,12H,4,10-11,13H2,1-3H3,(H,22,25).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide?
N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 53159955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).