4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide

C18H30N4O — CID 111579679

IUPAC4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1ccc(C(N)=O)cc1)NCCCCC(C)C
InChIInChI=1S/C18H30N4O/c1-4-20-18(21-12-6-5-7-14(2)3)22-13-15-8-10-16(11-9-15)17(19)23/h8-11,14H,4-7,12-13H2,1-3H3,(H2,19,23)(H2,20,21,22)
InChIKeySYGDPSYEAVQIOG-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.67
Rot. Bonds9

About 4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide

4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide (PubChem CID 111579679) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide
PubChem CID111579679
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1ccc(C(N)=O)cc1)NCCCCC(C)C
InChIInChI=1S/C18H30N4O/c1-4-20-18(21-12-6-5-7-14(2)3)22-13-15-8-10-16(11-9-15)17(19)23/h8-11,14H,4-7,12-13H2,1-3H3,(H2,19,23)(H2,20,21,22)
InChIKeySYGDPSYEAVQIOG-UHFFFAOYSA-N
XLogP2.67
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.67
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-amino-2-oxoethyl)-4-[[[ethylamino-(7-methyloctylamino)methylidene]amino]methyl]benzamide
CID 111204634
N-ethyl-4-[[[ethylamino-(4-methylpentylamino)methylidene]amino]methyl]benzamide
CID 111942415
N-(2-amino-2-oxoethyl)-4-[[[ethylamino-(4-methylpentylamino)methylidene]amino]methyl]benzamide
CID 111942877
4-[[[(4-ethoxybutylamino)-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111944584
N-butyl-4-[[[ethylamino-(3-methylbutylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 110977770
4-[[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]methyl]benzamide
CID 111714724
3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111579607
N,N-diethyl-4-[[[ethylamino-(3-methylbutylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 110976958
1-[4-[[[ethylamino-(4-methylpentylamino)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea
CID 111942693
4-[[[ethylamino-[3-(4-fluorophenyl)sulfanylpropylamino]methylidene]amino]methyl]benzamide
CID 111310932
4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide
CID 111356892
4-[[[[2-(2-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]methyl]benzamide
CID 111882731

Frequently Asked Questions

What is the IUPAC name of 4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide?
The IUPAC name of 4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide (CID 111579679) is 4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide?
The canonical SMILES for 4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide is CCN/C(=N\Cc1ccc(C(N)=O)cc1)NCCCCC(C)C.
What is the InChIKey of 4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide?
The InChIKey is SYGDPSYEAVQIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-20-18(21-12-6-5-7-14(2)3)22-13-15-8-10-16(11-9-15)17(19)23/h8-11,14H,4-7,12-13H2,1-3H3,(H2,19,23)(H2,20,21,22).
What are the key properties of 4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide?
4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide has a molecular weight of 318.47 g/mol, XLogP of 2.67, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide is sourced from PubChem (CID 111579679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).