N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide

C22H35N5O3 — CID 111997423

IUPACN-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide
SMILESCCN/C(=N\CCNC(=O)c1ccccc1O)NC1CCN(CC2CCOC2)CC1
InChIInChI=1S/C22H35N5O3/c1-2-23-22(25-11-10-24-21(29)19-5-3-4-6-20(19)28)26-18-7-12-27(13-8-18)15-17-9-14-30-16-17/h3-6,17-18,28H,2,7-16H2,1H3,(H,24,29)(H2,23,25,26)
InChIKeyCKGHOIGMIBMNMV-UHFFFAOYSA-N
MW417.55 g/mol
LogP1.18
Rot. Bonds8

About N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide

N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide (PubChem CID 111997423) has the molecular formula C22H35N5O3 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide
PubChem CID111997423
Molecular FormulaC22H35N5O3
Molecular Weight417.55 g/mol
Exact Mass417.27
IUPAC NameN-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide
SMILESCCN/C(=N\CCNC(=O)c1ccccc1O)NC1CCN(CC2CCOC2)CC1
InChIInChI=1S/C22H35N5O3/c1-2-23-22(25-11-10-24-21(29)19-5-3-4-6-20(19)28)26-18-7-12-27(13-8-18)15-17-9-14-30-16-17/h3-6,17-18,28H,2,7-16H2,1H3,(H,24,29)(H2,23,25,26)
InChIKeyCKGHOIGMIBMNMV-UHFFFAOYSA-N
XLogP1.18
TPSA98.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

Analyze N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[ethylamino-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111993822
N-[2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111994192
1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 111978435
N-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111993344
N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide
CID 111994679
N-[2-[[ethylamino-[[1-(3-fluorophenyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111994220
1-ethyl-2-(2-ethylbutyl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]guanidine
CID 111997151
N-[2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111142070
1-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]guanidine
CID 111995419
N-[2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide
CID 109440895
2-butyl-1-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]guanidine
CID 110056024
2-chloro-N-[2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]ethyl]benzamide;hydroiodide
CID 111914499

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide (CID 111997423) is N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide is CCN/C(=N\CCNC(=O)c1ccccc1O)NC1CCN(CC2CCOC2)CC1.
What is the InChIKey of N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide?
The InChIKey is CKGHOIGMIBMNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O3/c1-2-23-22(25-11-10-24-21(29)19-5-3-4-6-20(19)28)26-18-7-12-27(13-8-18)15-17-9-14-30-16-17/h3-6,17-18,28H,2,7-16H2,1H3,(H,24,29)(H2,23,25,26).
What are the key properties of N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide?
N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide has a molecular weight of 417.55 g/mol, XLogP of 1.18, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 111997423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).