2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide

C20H34N4O3 — CID 111402331

IUPAC2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN/C(=N\CC(=O)NCc1ccc(OC)cc1)NCCCOCC(C)C
InChIInChI=1S/C20H34N4O3/c1-5-21-20(22-11-6-12-27-15-16(2)3)24-14-19(25)23-13-17-7-9-18(26-4)10-8-17/h7-10,16H,5-6,11-15H2,1-4H3,(H,23,25)(H2,21,22,24)
InChIKeyNVWJTTSMPQSHBL-UHFFFAOYSA-N
MW378.52 g/mol
LogP1.93
Rot. Bonds12

About 2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide

2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 111402331) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID111402331
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Name2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN/C(=N\CC(=O)NCc1ccc(OC)cc1)NCCCOCC(C)C
InChIInChI=1S/C20H34N4O3/c1-5-21-20(22-11-6-12-27-15-16(2)3)24-14-19(25)23-13-17-7-9-18(26-4)10-8-17/h7-10,16H,5-6,11-15H2,1-4H3,(H,23,25)(H2,21,22,24)
InChIKeyNVWJTTSMPQSHBL-UHFFFAOYSA-N
XLogP1.93
TPSA83.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3-butoxypropylamino)-(ethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111240220
2-[[ethylamino-(3-phenoxypropylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111418673
2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111398169
2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111894492
tert-butyl N-[3-[[N-ethyl-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamimidoyl]amino]propyl]carbamate
CID 111885995
2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111236908
2-[[ethylamino-(2-phenylethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111136345
2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111402613
2-[[ethylamino-(2-phenylethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111136344
2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111402612
2-[[[2-(4-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111197017
2-[[ethylamino-[2-(2-fluorophenyl)ethylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111362865

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 111402331) is 2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide is CCN/C(=N\CC(=O)NCc1ccc(OC)cc1)NCCCOCC(C)C.
What is the InChIKey of 2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is NVWJTTSMPQSHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-5-21-20(22-11-6-12-27-15-16(2)3)24-14-19(25)23-13-17-7-9-18(26-4)10-8-17/h7-10,16H,5-6,11-15H2,1-4H3,(H,23,25)(H2,21,22,24).
What are the key properties of 2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 378.52 g/mol, XLogP of 1.93, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 111402331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).