N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide

C25H27ClN2O3 — CID 66539785

IUPACN-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide
SMILESCOc1cc(CNc2ccc(NC(=O)C(C)C)cc2)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C25H27ClN2O3/c1-17(2)25(29)28-21-11-9-20(10-12-21)27-15-19-13-23(30-3)24(14-22(19)26)31-16-18-7-5-4-6-8-18/h4-14,17,27H,15-16H2,1-3H3,(H,28,29)
InChIKeyFVULTKBTSWDRQJ-UHFFFAOYSA-N
MW438.96 g/mol
LogP6.13
Rot. Bonds9

About N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide

N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide (PubChem CID 66539785) has the molecular formula C25H27ClN2O3 and a molecular weight of 438.96 g/mol. Its IUPAC name is N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide
PubChem CID66539785
Molecular FormulaC25H27ClN2O3
Molecular Weight438.96 g/mol
Exact Mass438.17
IUPAC NameN-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide
SMILESCOc1cc(CNc2ccc(NC(=O)C(C)C)cc2)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C25H27ClN2O3/c1-17(2)25(29)28-21-11-9-20(10-12-21)27-15-19-13-23(30-3)24(14-22(19)26)31-16-18-7-5-4-6-8-18/h4-14,17,27H,15-16H2,1-3H3,(H,28,29)
InChIKeyFVULTKBTSWDRQJ-UHFFFAOYSA-N
XLogP6.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.96
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]aniline
CID 66539871
N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide
CID 66542397
N-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 66540459
N-[4-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 66543005
4-chloro-N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]aniline
CID 66539636
4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol
CID 66540451
N-[4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 66544865
N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
CID 66540435
4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 66542477
N-[[2-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 66540113
4-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]benzoic acid
CID 66540148
N-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1,3-benzodioxol-5-amine
CID 66539811

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide (CID 66539785) is N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide is COc1cc(CNc2ccc(NC(=O)C(C)C)cc2)c(Cl)cc1OCc1ccccc1.
What is the InChIKey of N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide?
The InChIKey is FVULTKBTSWDRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O3/c1-17(2)25(29)28-21-11-9-20(10-12-21)27-15-19-13-23(30-3)24(14-22(19)26)31-16-18-7-5-4-6-8-18/h4-14,17,27H,15-16H2,1-3H3,(H,28,29).
What are the key properties of N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide?
N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide has a molecular weight of 438.96 g/mol, XLogP of 6.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 66539785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).