N-benzyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide

C23H32N4O2 — CID 111403125

IUPACN-benzyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NCc1ccccc1)NCCCOC(C)c1ccccc1
InChIInChI=1S/C23H32N4O2/c1-3-24-23(27-18-22(28)26-17-20-11-6-4-7-12-20)25-15-10-16-29-19(2)21-13-8-5-9-14-21/h4-9,11-14,19H,3,10,15-18H2,1-2H3,(H,26,28)(H2,24,25,27)
InChIKeyKGGKTHJEDFZHIB-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.03
Rot. Bonds11

About N-benzyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide

N-benzyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide (PubChem CID 111403125) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-benzyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide
PubChem CID111403125
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-benzyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NCc1ccccc1)NCCCOC(C)c1ccccc1
InChIInChI=1S/C23H32N4O2/c1-3-24-23(27-18-22(28)26-17-20-11-6-4-7-12-20)25-15-10-16-29-19(2)21-13-8-5-9-14-21/h4-9,11-14,19H,3,10,15-18H2,1-2H3,(H,26,28)(H2,24,25,27)
InChIKeyKGGKTHJEDFZHIB-UHFFFAOYSA-N
XLogP3.03
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.03
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-cyclohexyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide
CID 111403503
N-benzyl-3-[[N'-methyl-N-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111403784
1-ethyl-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 111403196
3-[[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]methyl]-N-methylbenzamide
CID 111403709
methyl N-[4-[[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]methyl]phenyl]carbamate
CID 111402761
2-[[ethylamino-(3-phenoxypropylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111418673
1-ethyl-2-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[3-(1-phenylethoxy)propyl]guanidine
CID 111402949
N-benzyl-2-[[[2-[di(propan-2-yl)amino]ethylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111248078
1-ethyl-2-[(3-nitrophenyl)methyl]-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 111403732
methyl 3-[[N-ethyl-N'-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]propanoate
CID 111403831
3-[[N-ethyl-N'-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111402950
1-ethyl-3-[3-(1-phenylethoxy)propyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110970785

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide?
The IUPAC name of N-benzyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide (CID 111403125) is N-benzyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide?
The canonical SMILES for N-benzyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NCc1ccccc1)NCCCOC(C)c1ccccc1.
What is the InChIKey of N-benzyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide?
The InChIKey is KGGKTHJEDFZHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-3-24-23(27-18-22(28)26-17-20-11-6-4-7-12-20)25-15-10-16-29-19(2)21-13-8-5-9-14-21/h4-9,11-14,19H,3,10,15-18H2,1-2H3,(H,26,28)(H2,24,25,27).
What are the key properties of N-benzyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide?
N-benzyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide has a molecular weight of 396.54 g/mol, XLogP of 3.03, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]acetamide is sourced from PubChem (CID 111403125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).