N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide

C24H29N3O6 — CID 55968926

IUPACN-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)c1
InChIInChI=1S/C24H29N3O6/c1-5-33-11-7-10-25-23(28)15-8-6-9-16(12-15)26-24(29)18-13-17-19(30-2)14-20(31-3)22(32-4)21(17)27-18/h6,8-9,12-14,27H,5,7,10-11H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyAMEKUFSAPXREEG-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.60
Rot. Bonds11

About N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide

N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide (PubChem CID 55968926) has the molecular formula C24H29N3O6 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
PubChem CID55968926
Molecular FormulaC24H29N3O6
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC NameN-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)c1
InChIInChI=1S/C24H29N3O6/c1-5-33-11-7-10-25-23(28)15-8-6-9-16(12-15)26-24(29)18-13-17-19(30-2)14-20(31-3)22(32-4)21(17)27-18/h6,8-9,12-14,27H,5,7,10-11H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyAMEKUFSAPXREEG-UHFFFAOYSA-N
XLogP3.60
TPSA110.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 51090386
N-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39900401
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160383
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
CID 53030354
3-[3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoylamino]-N-(3-ethoxypropyl)benzamide
CID 55801852
3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 55801610
3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717821
4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119180627

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide (CID 55968926) is N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide is CCOCCCNC(=O)c1cccc(NC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)c1.
What is the InChIKey of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The InChIKey is AMEKUFSAPXREEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6/c1-5-33-11-7-10-25-23(28)15-8-6-9-16(12-15)26-24(29)18-13-17-19(30-2)14-20(31-3)22(32-4)21(17)27-18/h6,8-9,12-14,27H,5,7,10-11H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 3.60, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 55968926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).