N-[3-[2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]ethoxy]phenyl]acetamide

C23H32N4O2 — CID 111171725

IUPACN-[3-[2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]ethoxy]phenyl]acetamide
SMILESCCN/C(=N\CCOc1cccc(NC(C)=O)c1)NC(C)CCc1ccccc1
InChIInChI=1S/C23H32N4O2/c1-4-24-23(26-18(2)13-14-20-9-6-5-7-10-20)25-15-16-29-22-12-8-11-21(17-22)27-19(3)28/h5-12,17-18H,4,13-16H2,1-3H3,(H,27,28)(H2,24,25,26)
InChIKeyIIVOXOAVOSMWNK-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.60
Rot. Bonds10

About N-[3-[2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]ethoxy]phenyl]acetamide

N-[3-[2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]ethoxy]phenyl]acetamide (PubChem CID 111171725) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[3-[2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]ethoxy]phenyl]acetamide
PubChem CID111171725
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[3-[2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]ethoxy]phenyl]acetamide
SMILESCCN/C(=N\CCOc1cccc(NC(C)=O)c1)NC(C)CCc1ccccc1
InChIInChI=1S/C23H32N4O2/c1-4-24-23(26-18(2)13-14-20-9-6-5-7-10-20)25-15-16-29-22-12-8-11-21(17-22)27-19(3)28/h5-12,17-18H,4,13-16H2,1-3H3,(H,27,28)(H2,24,25,26)
InChIKeyIIVOXOAVOSMWNK-UHFFFAOYSA-N
XLogP3.60
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-[3-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethoxy]phenyl]acetamide
CID 110945734
N-[3-[2-[[N-ethyl-N'-[2-(3-fluorophenyl)ethyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide
CID 111395809
N-[3-[2-[[N-ethyl-N'-[2-(4-methoxyphenyl)ethyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide
CID 111169428
N-[3-[2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]ethoxy]phenyl]acetamide;hydroiodide
CID 110954521
N-[3-[2-[[N-ethyl-N'-(4-methylpentyl)carbamimidoyl]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111943840
3-[2-[[[2-(3-acetamidophenoxy)ethylamino]-(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111632762
N-[3-[2-[[N'-[3-[di(propan-2-yl)amino]propyl]-N-ethylcarbamimidoyl]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111692451
1-butan-2-yl-3-ethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine
CID 110943608
1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-phenylbutan-2-yl)guanidine
CID 111171873
N-[3-[2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 110963758
2-(3-ethoxypropyl)-1-ethyl-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111172620
N-[3-[2-[[N-ethyl-N'-[3-(2-methoxyethoxy)propyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide
CID 111405693

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]ethoxy]phenyl]acetamide?
The IUPAC name of N-[3-[2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]ethoxy]phenyl]acetamide (CID 111171725) is N-[3-[2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]ethoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]ethoxy]phenyl]acetamide is CCN/C(=N\CCOc1cccc(NC(C)=O)c1)NC(C)CCc1ccccc1.
What is the InChIKey of N-[3-[2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]ethoxy]phenyl]acetamide?
The InChIKey is IIVOXOAVOSMWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-4-24-23(26-18(2)13-14-20-9-6-5-7-10-20)25-15-16-29-22-12-8-11-21(17-22)27-19(3)28/h5-12,17-18H,4,13-16H2,1-3H3,(H,27,28)(H2,24,25,26).
What are the key properties of N-[3-[2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]ethoxy]phenyl]acetamide?
N-[3-[2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]ethoxy]phenyl]acetamide has a molecular weight of 396.54 g/mol, XLogP of 3.60, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]ethoxy]phenyl]acetamide is sourced from PubChem (CID 111171725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).