3-(5-carbamimidoyl-2-methoxyphenyl)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide

C24H29N5O3 — CID 10224952

IUPAC3-(5-carbamimidoyl-2-methoxyphenyl)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide
SMILES[H]/N=C(\N)c1ccc(OC)c(CC(C)C(=O)NCC(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H29N5O3/c1-15(11-18-12-16(23(25)26)7-8-21(18)32-2)24(31)29-14-22(30)27-10-9-17-13-28-20-6-4-3-5-19(17)20/h3-8,12-13,15,28H,9-11,14H2,1-2H3,(H3,25,26)(H,27,30)(H,29,31)
InChIKeyUKYYDZZLNWNAFS-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.11
Rot. Bonds10

About 3-(5-carbamimidoyl-2-methoxyphenyl)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide

3-(5-carbamimidoyl-2-methoxyphenyl)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide (PubChem CID 10224952) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-(5-carbamimidoyl-2-methoxyphenyl)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(5-carbamimidoyl-2-methoxyphenyl)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide
PubChem CID10224952
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name3-(5-carbamimidoyl-2-methoxyphenyl)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide
SMILES[H]/N=C(\N)c1ccc(OC)c(CC(C)C(=O)NCC(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H29N5O3/c1-15(11-18-12-16(23(25)26)7-8-21(18)32-2)24(31)29-14-22(30)27-10-9-17-13-28-20-6-4-3-5-19(17)20/h3-8,12-13,15,28H,9-11,14H2,1-2H3,(H3,25,26)(H,27,30)(H,29,31)
InChIKeyUKYYDZZLNWNAFS-UHFFFAOYSA-N
XLogP2.11
TPSA133.09 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide
CID 85326022
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
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[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
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acetic acid;2-(4-carbamimidoylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide
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ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate
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CID 112993944
2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17433243
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18107803
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2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108510193
2-amino-3-(1H-indol-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(5-carbamimidoyl-2-methoxyphenyl)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of 3-(5-carbamimidoyl-2-methoxyphenyl)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide (CID 10224952) is 3-(5-carbamimidoyl-2-methoxyphenyl)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for 3-(5-carbamimidoyl-2-methoxyphenyl)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for 3-(5-carbamimidoyl-2-methoxyphenyl)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide is [H]/N=C(\N)c1ccc(OC)c(CC(C)C(=O)NCC(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-(5-carbamimidoyl-2-methoxyphenyl)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide?
The InChIKey is UKYYDZZLNWNAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-15(11-18-12-16(23(25)26)7-8-21(18)32-2)24(31)29-14-22(30)27-10-9-17-13-28-20-6-4-3-5-19(17)20/h3-8,12-13,15,28H,9-11,14H2,1-2H3,(H3,25,26)(H,27,30)(H,29,31).
What are the key properties of 3-(5-carbamimidoyl-2-methoxyphenyl)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide?
3-(5-carbamimidoyl-2-methoxyphenyl)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 435.53 g/mol, XLogP of 2.11, 10 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-carbamimidoyl-2-methoxyphenyl)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 10224952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).