N-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]-1H-indole-2-carboxamide

C26H32N4O5 — CID 67668385

IUPACN-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]-1H-indole-2-carboxamide
SMILESCCCCCN(C(=O)N(C)C(=O)NC(=O)c1cc2ccccc2[nH]1)c1c(OC)cc(C)cc1OC
InChIInChI=1S/C26H32N4O5/c1-6-7-10-13-30(23-21(34-4)14-17(2)15-22(23)35-5)26(33)29(3)25(32)28-24(31)20-16-18-11-8-9-12-19(18)27-20/h8-9,11-12,14-16,27H,6-7,10,13H2,1-5H3,(H,28,31,32)
InChIKeyWGTXWOHUMZRMNJ-UHFFFAOYSA-N
MW480.57 g/mol
LogP5.09
Rot. Bonds8

About N-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]-1H-indole-2-carboxamide

N-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]-1H-indole-2-carboxamide (PubChem CID 67668385) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]-1H-indole-2-carboxamide
PubChem CID67668385
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC NameN-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]-1H-indole-2-carboxamide
SMILESCCCCCN(C(=O)N(C)C(=O)NC(=O)c1cc2ccccc2[nH]1)c1c(OC)cc(C)cc1OC
InChIInChI=1S/C26H32N4O5/c1-6-7-10-13-30(23-21(34-4)14-17(2)15-22(23)35-5)26(33)29(3)25(32)28-24(31)20-16-18-11-8-9-12-19(18)27-20/h8-9,11-12,14-16,27H,6-7,10,13H2,1-5H3,(H,28,31,32)
InChIKeyWGTXWOHUMZRMNJ-UHFFFAOYSA-N
XLogP5.09
TPSA103.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,6-dimethoxy-4-methylphenyl)pentylcarbamoyl-methylcarbamoyl]-1H-indole-2-carboxamide
CID 67668387
2-[2-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]indol-1-yl]acetic acid
CID 67754760
N-[2-(2,6-dimethoxy-4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 18936459
N-(N-butyl-N-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 174285992
N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride
CID 70216341
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70213587
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
N-nonyl-N-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 67710063
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
CID 9223899
butyl 1H-indole-2-carboxylate
CID 54052397

Frequently Asked Questions

What is the IUPAC name of N-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]-1H-indole-2-carboxamide (CID 67668385) is N-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]-1H-indole-2-carboxamide is CCCCCN(C(=O)N(C)C(=O)NC(=O)c1cc2ccccc2[nH]1)c1c(OC)cc(C)cc1OC.
What is the InChIKey of N-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]-1H-indole-2-carboxamide?
The InChIKey is WGTXWOHUMZRMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-6-7-10-13-30(23-21(34-4)14-17(2)15-22(23)35-5)26(33)29(3)25(32)28-24(31)20-16-18-11-8-9-12-19(18)27-20/h8-9,11-12,14-16,27H,6-7,10,13H2,1-5H3,(H,28,31,32).
What are the key properties of N-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]-1H-indole-2-carboxamide?
N-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]-1H-indole-2-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 67668385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).