N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide

C24H29N3O5 — CID 6035728

IUPACN-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C24H29N3O5/c1-30-21-12-18(13-22(14-21)31-2)24(29)27-25-15-17-8-10-20(11-9-17)32-16-23(28)26-19-6-4-3-5-7-19/h8-15,19H,3-7,16H2,1-2H3,(H,26,28)(H,27,29)/b25-15-
InChIKeyBCYUUXYACCXSCX-MYYYXRDXSA-N
MW439.51 g/mol
LogP3.30
Rot. Bonds9

About N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide

N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide (PubChem CID 6035728) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
PubChem CID6035728
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC NameN-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C24H29N3O5/c1-30-21-12-18(13-22(14-21)31-2)24(29)27-25-15-17-8-10-20(11-9-17)32-16-23(28)26-19-6-4-3-5-7-19/h8-15,19H,3-7,16H2,1-2H3,(H,26,28)(H,27,29)/b25-15-
InChIKeyBCYUUXYACCXSCX-MYYYXRDXSA-N
XLogP3.30
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[4-[[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4035546
N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
CID 3829252
N-[(E)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 94833194
N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 94863537
N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide
CID 94863500
3,5-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide
CID 5236851
N'-[(E)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)propanediamide
CID 94863688
N-[[4-(cyclooctylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 2867599
4-methoxy-N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 92850497
N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 94832956
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4236788
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 6079252

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide (CID 6035728) is N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)c1.
What is the InChIKey of N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide?
The InChIKey is BCYUUXYACCXSCX-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-30-21-12-18(13-22(14-21)31-2)24(29)27-25-15-17-8-10-20(11-9-17)32-16-23(28)26-19-6-4-3-5-7-19/h8-15,19H,3-7,16H2,1-2H3,(H,26,28)(H,27,29)/b25-15-.
What are the key properties of N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide?
N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide has a molecular weight of 439.51 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide is sourced from PubChem (CID 6035728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).