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

C26H32N4O5 — CID 67668387

IUPACN-[1-(2,6-dimethoxy-4-methylphenyl)pentylcarbamoyl-methylcarbamoyl]-1H-indole-2-carboxamide
SMILESCCCCC(NC(=O)N(C)C(=O)NC(=O)c1cc2ccccc2[nH]1)c1c(OC)cc(C)cc1OC
InChIInChI=1S/C26H32N4O5/c1-6-7-11-19(23-21(34-4)13-16(2)14-22(23)35-5)28-25(32)30(3)26(33)29-24(31)20-15-17-10-8-9-12-18(17)27-20/h8-10,12-15,19,27H,6-7,11H2,1-5H3,(H,28,32)(H,29,31,33)
InChIKeyUKVIILFWHBXIAY-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.92
Rot. Bonds8

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

N-[1-(2,6-dimethoxy-4-methylphenyl)pentylcarbamoyl-methylcarbamoyl]-1H-indole-2-carboxamide (PubChem CID 67668387) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[1-(2,6-dimethoxy-4-methylphenyl)pentylcarbamoyl-methylcarbamoyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethoxy-4-methylphenyl)pentylcarbamoyl-methylcarbamoyl]-1H-indole-2-carboxamide
PubChem CID67668387
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC NameN-[1-(2,6-dimethoxy-4-methylphenyl)pentylcarbamoyl-methylcarbamoyl]-1H-indole-2-carboxamide
SMILESCCCCC(NC(=O)N(C)C(=O)NC(=O)c1cc2ccccc2[nH]1)c1c(OC)cc(C)cc1OC
InChIInChI=1S/C26H32N4O5/c1-6-7-11-19(23-21(34-4)13-16(2)14-22(23)35-5)28-25(32)30(3)26(33)29-24(31)20-15-17-10-8-9-12-18(17)27-20/h8-10,12-15,19,27H,6-7,11H2,1-5H3,(H,28,32)(H,29,31,33)
InChIKeyUKVIILFWHBXIAY-UHFFFAOYSA-N
XLogP4.92
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]-1H-indole-2-carboxamide
CID 67668385
N-(N-butyl-N-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 174285992
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
methyl 3-(1H-indole-2-carbonylamino)pentanoate
CID 112533189
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70213587
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride
CID 70216341
N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide
CID 4963983
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
[2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate
CID 18081770
N-[1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 123483320

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethoxy-4-methylphenyl)pentylcarbamoyl-methylcarbamoyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(2,6-dimethoxy-4-methylphenyl)pentylcarbamoyl-methylcarbamoyl]-1H-indole-2-carboxamide (CID 67668387) is N-[1-(2,6-dimethoxy-4-methylphenyl)pentylcarbamoyl-methylcarbamoyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(2,6-dimethoxy-4-methylphenyl)pentylcarbamoyl-methylcarbamoyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(2,6-dimethoxy-4-methylphenyl)pentylcarbamoyl-methylcarbamoyl]-1H-indole-2-carboxamide is CCCCC(NC(=O)N(C)C(=O)NC(=O)c1cc2ccccc2[nH]1)c1c(OC)cc(C)cc1OC.
What is the InChIKey of N-[1-(2,6-dimethoxy-4-methylphenyl)pentylcarbamoyl-methylcarbamoyl]-1H-indole-2-carboxamide?
The InChIKey is UKVIILFWHBXIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-6-7-11-19(23-21(34-4)13-16(2)14-22(23)35-5)28-25(32)30(3)26(33)29-24(31)20-15-17-10-8-9-12-18(17)27-20/h8-10,12-15,19,27H,6-7,11H2,1-5H3,(H,28,32)(H,29,31,33).
What are the key properties of N-[1-(2,6-dimethoxy-4-methylphenyl)pentylcarbamoyl-methylcarbamoyl]-1H-indole-2-carboxamide?
N-[1-(2,6-dimethoxy-4-methylphenyl)pentylcarbamoyl-methylcarbamoyl]-1H-indole-2-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 4.92, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethoxy-4-methylphenyl)pentylcarbamoyl-methylcarbamoyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 67668387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).