N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide

C18H28N4O — CID 110992709

IUPACN-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide
SMILESCCN/C(=N\CCNC(=O)c1cccc(C)c1)NC1CCCC1
InChIInChI=1S/C18H28N4O/c1-3-19-18(22-16-9-4-5-10-16)21-12-11-20-17(23)15-8-6-7-14(2)13-15/h6-8,13,16H,3-5,9-12H2,1-2H3,(H,20,23)(H2,19,21,22)
InChIKeyUPVCSFFJESKODF-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.22
Rot. Bonds6

About N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide

N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide (PubChem CID 110992709) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide
PubChem CID110992709
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide
SMILESCCN/C(=N\CCNC(=O)c1cccc(C)c1)NC1CCCC1
InChIInChI=1S/C18H28N4O/c1-3-19-18(22-16-9-4-5-10-16)21-12-11-20-17(23)15-8-6-7-14(2)13-15/h6-8,13,16H,3-5,9-12H2,1-2H3,(H,20,23)(H2,19,21,22)
InChIKeyUPVCSFFJESKODF-UHFFFAOYSA-N
XLogP2.22
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide 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-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide
CID 111143344
N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide
CID 110917968
N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide
CID 111961383
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 110988293
3-bromo-N-[3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]propyl]benzamide
CID 110988762
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
N-cyclooctyl-3-methylbenzamide
CID 966011
N-[2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide
CID 110958203
N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110991324
N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide
CID 111017805
N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
CID 111190243
N-[2-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111224433

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide (CID 110992709) is N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide is CCN/C(=N\CCNC(=O)c1cccc(C)c1)NC1CCCC1.
What is the InChIKey of N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide?
The InChIKey is UPVCSFFJESKODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-3-19-18(22-16-9-4-5-10-16)21-12-11-20-17(23)15-8-6-7-14(2)13-15/h6-8,13,16H,3-5,9-12H2,1-2H3,(H,20,23)(H2,19,21,22).
What are the key properties of N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide?
N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide has a molecular weight of 316.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide is sourced from PubChem (CID 110992709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).