N-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide

C21H34N4O3 — CID 111214935

IUPACN-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H34N4O3/c1-4-22-21(24-15-20(26)25-17-8-6-5-7-9-17)23-13-12-16-10-11-18(27-2)19(14-16)28-3/h10-11,14,17H,4-9,12-13,15H2,1-3H3,(H,25,26)(H2,22,23,24)
InChIKeyZMBPTDFDUKNXJI-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.25
Rot. Bonds9

About N-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide

N-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide (PubChem CID 111214935) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
PubChem CID111214935
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC NameN-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H34N4O3/c1-4-22-21(24-15-20(26)25-17-8-6-5-7-9-17)23-13-12-16-10-11-18(27-2)19(14-16)28-3/h10-11,14,17H,4-9,12-13,15H2,1-3H3,(H,25,26)(H2,22,23,24)
InChIKeyZMBPTDFDUKNXJI-UHFFFAOYSA-N
XLogP2.25
TPSA83.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090838
N-cyclopropyl-2-[[[2-(3,4-diethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111246377
N-cyclohexyl-2-[[N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111214677
N-cyclopentyl-3-[[ethylamino-[2-(3-methoxy-4-methylphenyl)ethylamino]methylidene]amino]propanamide;hydroiodide
CID 111589529
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 111034652
3-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclohexylpropanamide
CID 111075449
2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111214620
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942
N-cyclohexyl-3-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propanamide
CID 111170018
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
N-cyclohexyl-3-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propanamide;hydroiodide
CID 111170017

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide (CID 111214935) is N-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC1CCCCC1)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide?
The InChIKey is ZMBPTDFDUKNXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-4-22-21(24-15-20(26)25-17-8-6-5-7-9-17)23-13-12-16-10-11-18(27-2)19(14-16)28-3/h10-11,14,17H,4-9,12-13,15H2,1-3H3,(H,25,26)(H2,22,23,24).
What are the key properties of N-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide?
N-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide has a molecular weight of 390.53 g/mol, XLogP of 2.25, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111214935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).