N-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide

C24H31N3O4 — CID 4027713

IUPACN-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
SMILESCCCCOc1cccc(C=NNC(=O)C(C(=O)Nc2ccc(OC)cc2)C(C)C)c1
InChIInChI=1S/C24H31N3O4/c1-5-6-14-31-21-9-7-8-18(15-21)16-25-27-24(29)22(17(2)3)23(28)26-19-10-12-20(30-4)13-11-19/h7-13,15-17,22H,5-6,14H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyFDNGKRGYCRRDSD-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.24
Rot. Bonds11

About N-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide

N-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide (PubChem CID 4027713) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
PubChem CID4027713
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
SMILESCCCCOc1cccc(C=NNC(=O)C(C(=O)Nc2ccc(OC)cc2)C(C)C)c1
InChIInChI=1S/C24H31N3O4/c1-5-6-14-31-21-9-7-8-18(15-21)16-25-27-24(29)22(17(2)3)23(28)26-19-10-12-20(30-4)13-11-19/h7-13,15-17,22H,5-6,14H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyFDNGKRGYCRRDSD-UHFFFAOYSA-N
XLogP4.24
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 3965802
N-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide
CID 3459143
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 135625793
N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide
CID 4253817
N'-[(Z)-(3-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8901425
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
N-[(3-bromo-4-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3277232
N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 5109215
N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(2-prop-2-enoxyphenyl)methylideneamino]propanediamide
CID 4683985
1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea
CID 19165743
N-(4-methoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]-2-propan-2-ylpropanediamide
CID 4987126
(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5413551

Frequently Asked Questions

What is the IUPAC name of N-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide?
The IUPAC name of N-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide (CID 4027713) is N-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide.
What is the SMILES notation for N-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide?
The canonical SMILES for N-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide is CCCCOc1cccc(C=NNC(=O)C(C(=O)Nc2ccc(OC)cc2)C(C)C)c1.
What is the InChIKey of N-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide?
The InChIKey is FDNGKRGYCRRDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-5-6-14-31-21-9-7-8-18(15-21)16-25-27-24(29)22(17(2)3)23(28)26-19-10-12-20(30-4)13-11-19/h7-13,15-17,22H,5-6,14H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of N-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide?
N-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide has a molecular weight of 425.53 g/mol, XLogP of 4.24, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide is sourced from PubChem (CID 4027713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).