2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide

C17H26N4O — CID 41092525

IUPAC2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
SMILESCN(C)c1ccc(/C=N\NC(=O)CNC2CCCCC2)cc1
InChIInChI=1S/C17H26N4O/c1-21(2)16-10-8-14(9-11-16)12-19-20-17(22)13-18-15-6-4-3-5-7-15/h8-12,15,18H,3-7,13H2,1-2H3,(H,20,22)/b19-12-
InChIKeyRKHUZBZNDAVHFS-UNOMPAQXSA-N
MW302.42 g/mol
LogP2.12
Rot. Bonds6

About 2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide

2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide (PubChem CID 41092525) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
PubChem CID41092525
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
SMILESCN(C)c1ccc(/C=N\NC(=O)CNC2CCCCC2)cc1
InChIInChI=1S/C17H26N4O/c1-21(2)16-10-8-14(9-11-16)12-19-20-17(22)13-18-15-6-4-3-5-7-15/h8-12,15,18H,3-7,13H2,1-2H3,(H,20,22)/b19-12-
InChIKeyRKHUZBZNDAVHFS-UNOMPAQXSA-N
XLogP2.12
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 51064202
N-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide
CID 126381594
ethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126381979
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
2-(cyclohexylamino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 126386756
2-(cyclohexylamino)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 137094323
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride
CID 163329045
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide
CID 171984113
N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 6869036

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide (CID 41092525) is 2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide is CN(C)c1ccc(/C=N\NC(=O)CNC2CCCCC2)cc1.
What is the InChIKey of 2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide?
The InChIKey is RKHUZBZNDAVHFS-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H26N4O/c1-21(2)16-10-8-14(9-11-16)12-19-20-17(22)13-18-15-6-4-3-5-7-15/h8-12,15,18H,3-7,13H2,1-2H3,(H,20,22)/b19-12-.
What are the key properties of 2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide?
2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide has a molecular weight of 302.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 41092525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).