N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide

C16H24N4O — CID 111961317

IUPACN-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide
SMILESCCN/C(=N\CCNC(=O)c1ccccc1)NC1CC1C
InChIInChI=1S/C16H24N4O/c1-3-17-16(20-14-11-12(14)2)19-10-9-18-15(21)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,18,21)(H2,17,19,20)
InChIKeyIXZLKVCXXCLIHO-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.38
Rot. Bonds6

About N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide

N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide (PubChem CID 111961317) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide
PubChem CID111961317
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide
SMILESCCN/C(=N\CCNC(=O)c1ccccc1)NC1CC1C
InChIInChI=1S/C16H24N4O/c1-3-17-16(20-14-11-12(14)2)19-10-9-18-15(21)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,18,21)(H2,17,19,20)
InChIKeyIXZLKVCXXCLIHO-UHFFFAOYSA-N
XLogP1.38
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.38
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'}

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Related Compounds

N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide
CID 111961383
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 110988293
N-ethyl-4-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111961032
N-butyl-4-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111962328
tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate
CID 111884785
N-[2-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]benzamide
CID 110940306
1-ethyl-2-[3-(N-methylanilino)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111953398
N-(2-amino-2-oxoethyl)-4-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111961904
N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide
CID 110992709
N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide
CID 111255717
N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-chlorobenzamide
CID 138994545
1-ethyl-2-[4-(N-methylanilino)butyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111961606

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide (CID 111961317) is N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide is CCN/C(=N\CCNC(=O)c1ccccc1)NC1CC1C.
What is the InChIKey of N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide?
The InChIKey is IXZLKVCXXCLIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-17-16(20-14-11-12(14)2)19-10-9-18-15(21)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,18,21)(H2,17,19,20).
What are the key properties of N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide?
N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide has a molecular weight of 288.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide is sourced from PubChem (CID 111961317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).