[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] N-(3-carbamimidoylphenyl)carbamate

C19H22N4O4 — CID 73173522

IUPAC[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] N-(3-carbamimidoylphenyl)carbamate
SMILES[H]/N=C(\N)c1cccc(NC(=O)OCC(=O)NC(C)c2cccc(OC)c2)c1
InChIInChI=1S/C19H22N4O4/c1-12(13-5-4-8-16(10-13)26-2)22-17(24)11-27-19(25)23-15-7-3-6-14(9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,22,24)(H,23,25)
InChIKeyALZISPYCXWYSKJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.41
Rot. Bonds7

About [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] N-(3-carbamimidoylphenyl)carbamate

[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] N-(3-carbamimidoylphenyl)carbamate (PubChem CID 73173522) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] N-(3-carbamimidoylphenyl)carbamate.

Molecular Properties

Compound Name[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] N-(3-carbamimidoylphenyl)carbamate
PubChem CID73173522
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] N-(3-carbamimidoylphenyl)carbamate
SMILES[H]/N=C(\N)c1cccc(NC(=O)OCC(=O)NC(C)c2cccc(OC)c2)c1
InChIInChI=1S/C19H22N4O4/c1-12(13-5-4-8-16(10-13)26-2)22-17(24)11-27-19(25)23-15-7-3-6-14(9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,22,24)(H,23,25)
InChIKeyALZISPYCXWYSKJ-UHFFFAOYSA-N
XLogP2.41
TPSA126.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 95181203
2-[(5-carbamimidoyl-2-pyridinyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 59864122
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 50929606
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 2-chlorobenzoate
CID 46860365
N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945966
N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 51727122
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 50929744
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 95181228
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 50929753
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860533
2-(2-aminophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 61102582

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] N-(3-carbamimidoylphenyl)carbamate?
The IUPAC name of [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] N-(3-carbamimidoylphenyl)carbamate (CID 73173522) is [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] N-(3-carbamimidoylphenyl)carbamate.
What is the SMILES notation for [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] N-(3-carbamimidoylphenyl)carbamate?
The canonical SMILES for [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] N-(3-carbamimidoylphenyl)carbamate is [H]/N=C(\N)c1cccc(NC(=O)OCC(=O)NC(C)c2cccc(OC)c2)c1.
What is the InChIKey of [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] N-(3-carbamimidoylphenyl)carbamate?
The InChIKey is ALZISPYCXWYSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-12(13-5-4-8-16(10-13)26-2)22-17(24)11-27-19(25)23-15-7-3-6-14(9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,22,24)(H,23,25).
What are the key properties of [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] N-(3-carbamimidoylphenyl)carbamate?
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] N-(3-carbamimidoylphenyl)carbamate has a molecular weight of 370.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] N-(3-carbamimidoylphenyl)carbamate is sourced from PubChem (CID 73173522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).