N-[5-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide

C25H34N4O2 — CID 111852924

IUPACN-[5-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide
SMILESCCN/C(=N\Cc1ccc(OC)c(NC(C)=O)c1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C25H34N4O2/c1-4-26-24(27-17-20-12-13-23(31-3)22(16-20)29-19(2)30)28-18-25(14-8-9-15-25)21-10-6-5-7-11-21/h5-7,10-13,16H,4,8-9,14-15,17-18H2,1-3H3,(H,29,30)(H2,26,27,28)
InChIKeyTUHYCMRLTKBNTC-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.22
Rot. Bonds8

About N-[5-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide

N-[5-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide (PubChem CID 111852924) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[5-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide
PubChem CID111852924
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-[5-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide
SMILESCCN/C(=N\Cc1ccc(OC)c(NC(C)=O)c1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C25H34N4O2/c1-4-26-24(27-17-20-12-13-23(31-3)22(16-20)29-19(2)30)28-18-25(14-8-9-15-25)21-10-6-5-7-11-21/h5-7,10-13,16H,4,8-9,14-15,17-18H2,1-3H3,(H,29,30)(H2,26,27,28)
InChIKeyTUHYCMRLTKBNTC-UHFFFAOYSA-N
XLogP4.22
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide
CID 111637476
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111203066
1-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111999910
N-[5-[[[ethylamino-[(2-ethylphenyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111636780
4-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111852467
N-[5-[[[N-ethyl-N'-[(3-fluorophenyl)methyl]carbamimidoyl]amino]methyl]-2-methoxyphenyl]acetamide
CID 111876095
2-[3-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111999104
N-[5-[[[N-ethyl-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111899734
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111200555
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[(1-hydroxycyclopentyl)methyl]guanidine
CID 111200832
1-ethyl-2-[(4-methylsulfonylphenyl)methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine
CID 111854742
N-[5-[[[ethylamino-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111320311

Frequently Asked Questions

What is the IUPAC name of N-[5-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide (CID 111852924) is N-[5-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide is CCN/C(=N\Cc1ccc(OC)c(NC(C)=O)c1)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of N-[5-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide?
The InChIKey is TUHYCMRLTKBNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-4-26-24(27-17-20-12-13-23(31-3)22(16-20)29-19(2)30)28-18-25(14-8-9-15-25)21-10-6-5-7-11-21/h5-7,10-13,16H,4,8-9,14-15,17-18H2,1-3H3,(H,29,30)(H2,26,27,28).
What are the key properties of N-[5-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide?
N-[5-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide has a molecular weight of 422.57 g/mol, XLogP of 4.22, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 111852924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).