N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide

C24H34N4O4 — CID 3829252

IUPACN-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
SMILESO=C(CC(=O)NC1CCCCC1)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H34N4O4/c29-22(26-19-7-3-1-4-8-19)15-23(30)28-25-16-18-11-13-21(14-12-18)32-17-24(31)27-20-9-5-2-6-10-20/h11-14,16,19-20H,1-10,15,17H2,(H,26,29)(H,27,31)(H,28,30)
InChIKeyBVVDIEXHZLSISB-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.80
Rot. Bonds9

About N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide

N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide (PubChem CID 3829252) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
PubChem CID3829252
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC NameN-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
SMILESO=C(CC(=O)NC1CCCCC1)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H34N4O4/c29-22(26-19-7-3-1-4-8-19)15-23(30)28-25-16-18-11-13-21(14-12-18)32-17-24(31)27-20-9-5-2-6-10-20/h11-14,16,19-20H,1-10,15,17H2,(H,26,29)(H,27,31)(H,28,30)
InChIKeyBVVDIEXHZLSISB-UHFFFAOYSA-N
XLogP2.80
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)propanediamide
CID 94863688
N-[(E)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 94833194
N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide
CID 94863500
N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 6035728
N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 94863537
N-(2-chlorophenyl)-N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94863613
N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-cyclohexyloxamide
CID 94863520
N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 126035170
N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 94832956
ethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126381979
N-cycloheptyl-2-[4-(methylamino)phenoxy]acetamide
CID 61027576
N'-[(E)-(3-chlorophenyl)methylideneamino]-N-cyclohexylpropanediamide
CID 21211605

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide?
The IUPAC name of N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide (CID 3829252) is N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide.
What is the SMILES notation for N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide?
The canonical SMILES for N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide is O=C(CC(=O)NC1CCCCC1)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide?
The InChIKey is BVVDIEXHZLSISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c29-22(26-19-7-3-1-4-8-19)15-23(30)28-25-16-18-11-13-21(14-12-18)32-17-24(31)27-20-9-5-2-6-10-20/h11-14,16,19-20H,1-10,15,17H2,(H,26,29)(H,27,31)(H,28,30).
What are the key properties of N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide?
N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide has a molecular weight of 442.56 g/mol, XLogP of 2.80, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide is sourced from PubChem (CID 3829252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).