4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid

C25H29NO3 — CID 66528178

IUPAC4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid
SMILESCc1ccccc1COc1ccc2ccccc2c1CNC(CC(C)C)C(=O)O
InChIInChI=1S/C25H29NO3/c1-17(2)14-23(25(27)28)26-15-22-21-11-7-6-9-19(21)12-13-24(22)29-16-20-10-5-4-8-18(20)3/h4-13,17,23,26H,14-16H2,1-3H3,(H,27,28)
InChIKeyQOTLLHHKNOHJHP-UHFFFAOYSA-N
MW391.51 g/mol
LogP5.32
Rot. Bonds9

About 4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid

4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid (PubChem CID 66528178) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid
PubChem CID66528178
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid
SMILESCc1ccccc1COc1ccc2ccccc2c1CNC(CC(C)C)C(=O)O
InChIInChI=1S/C25H29NO3/c1-17(2)14-23(25(27)28)26-15-22-21-11-7-6-9-19(21)12-13-24(22)29-16-20-10-5-4-8-18(20)3/h4-13,17,23,26H,14-16H2,1-3H3,(H,27,28)
InChIKeyQOTLLHHKNOHJHP-UHFFFAOYSA-N
XLogP5.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylamino]pentanoic acid
CID 66528381
4-methyl-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]pentanoic acid
CID 66528160
2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 66527244
(2S)-3-(1H-indol-3-yl)-2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 51987484
2-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]-4-methylpentanoic acid
CID 66528396
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide
CID 20988373
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid
CID 66527077
2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-methylpentanoic acid
CID 66527664
(2R)-2-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51996020
2-[(2-methoxynaphthalen-1-yl)methylamino]-5,5-dimethylhexanoic acid
CID 175558771
(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid
CID 102164167

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid (CID 66528178) is 4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid is Cc1ccccc1COc1ccc2ccccc2c1CNC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid?
The InChIKey is QOTLLHHKNOHJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-17(2)14-23(25(27)28)26-15-22-21-11-7-6-9-19(21)12-13-24(22)29-16-20-10-5-4-8-18(20)3/h4-13,17,23,26H,14-16H2,1-3H3,(H,27,28).
What are the key properties of 4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid?
4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid has a molecular weight of 391.51 g/mol, XLogP of 5.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylamino]pentanoic acid is sourced from PubChem (CID 66528178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).