(2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide

C21H26N2O2 — CID 793131

IUPAC(2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCOc1ccc(C=NNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-15(2)13-17-5-9-19(10-6-17)16(3)21(24)23-22-14-18-7-11-20(25-4)12-8-18/h5-12,14-16H,13H2,1-4H3,(H,23,24)/t16-/m1/s1
InChIKeyZLXNEJFWOBRJJQ-MRXNPFEDSA-N
MW338.45 g/mol
LogP4.15
Rot. Bonds7

About (2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide

(2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 793131) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID793131
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCOc1ccc(C=NNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-15(2)13-17-5-9-19(10-6-17)16(3)21(24)23-22-14-18-7-11-20(25-4)12-8-18/h5-12,14-16H,13H2,1-4H3,(H,23,24)/t16-/m1/s1
InChIKeyZLXNEJFWOBRJJQ-MRXNPFEDSA-N
XLogP4.15
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2S)-N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 135958667
(2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 175678290
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 3953884
(2S)-N-[(E)-(4-chlorophenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 175678405
(2S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 135764403
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 135400268
N-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 75202374
2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 5063444
(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 840626
N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3693405
(2S)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 29039173
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 17389126

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 793131) is (2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide is COc1ccc(C=NNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of (2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is ZLXNEJFWOBRJJQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(2)13-17-5-9-19(10-6-17)16(3)21(24)23-22-14-18-7-11-20(25-4)12-8-18/h5-12,14-16H,13H2,1-4H3,(H,23,24)/t16-/m1/s1.
What are the key properties of (2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
(2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 793131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).