N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide

C20H29N3O3 — CID 90488214

IUPACN-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide
SMILESCCCn1c(C(=O)NCCOC)cc2cc(NC(=O)CC(C)C)ccc21
InChIInChI=1S/C20H29N3O3/c1-5-9-23-17-7-6-16(22-19(24)11-14(2)3)12-15(17)13-18(23)20(25)21-8-10-26-4/h6-7,12-14H,5,8-11H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyPNKZDFZEDNWRLY-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.41
Rot. Bonds9

About N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide

N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide (PubChem CID 90488214) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide
PubChem CID90488214
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide
SMILESCCCn1c(C(=O)NCCOC)cc2cc(NC(=O)CC(C)C)ccc21
InChIInChI=1S/C20H29N3O3/c1-5-9-23-17-7-6-16(22-19(24)11-14(2)3)12-15(17)13-18(23)20(25)21-8-10-26-4/h6-7,12-14H,5,8-11H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyPNKZDFZEDNWRLY-UHFFFAOYSA-N
XLogP3.41
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 83281992
5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide
CID 83281983
5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide
CID 91635069
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54819837
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83287983
N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide
CID 35176961
N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide
CID 5018445
5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide
CID 83284031
5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83276291
1-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]indole-2-carboxamide
CID 60550859
2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide
CID 67550244
N-(6-bromonaphthalen-2-yl)-3-methylbutanamide
CID 81259381

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide (CID 90488214) is N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide is CCCn1c(C(=O)NCCOC)cc2cc(NC(=O)CC(C)C)ccc21.
What is the InChIKey of N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide?
The InChIKey is PNKZDFZEDNWRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-5-9-23-17-7-6-16(22-19(24)11-14(2)3)12-15(17)13-18(23)20(25)21-8-10-26-4/h6-7,12-14H,5,8-11H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide?
N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide is sourced from PubChem (CID 90488214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).