2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid

C26H29NO6 — CID 24752603

IUPAC2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid
SMILESCOc1ccc2cc(OC)c(C(=O)NCC(C)c3ccc(OC(C)(C)C(=O)O)cc3)cc2c1
InChIInChI=1S/C26H29NO6/c1-16(17-6-9-20(10-7-17)33-26(2,3)25(29)30)15-27-24(28)22-13-19-12-21(31-4)11-8-18(19)14-23(22)32-5/h6-14,16H,15H2,1-5H3,(H,27,28)(H,29,30)
InChIKeyZCNSMSBTQIAERP-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.63
Rot. Bonds9

About 2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid

2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid (PubChem CID 24752603) has the molecular formula C26H29NO6 and a molecular weight of 451.52 g/mol. Its IUPAC name is 2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid
PubChem CID24752603
Molecular FormulaC26H29NO6
Molecular Weight451.52 g/mol
Exact Mass451.20
IUPAC Name2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid
SMILESCOc1ccc2cc(OC)c(C(=O)NCC(C)c3ccc(OC(C)(C)C(=O)O)cc3)cc2c1
InChIInChI=1S/C26H29NO6/c1-16(17-6-9-20(10-7-17)33-26(2,3)25(29)30)15-27-24(28)22-13-19-12-21(31-4)11-8-18(19)14-23(22)32-5/h6-14,16H,15H2,1-5H3,(H,27,28)(H,29,30)
InChIKeyZCNSMSBTQIAERP-UHFFFAOYSA-N
XLogP4.63
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-[(2-methoxynaphthalene-1-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid
CID 71161540
2,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 8624150
2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid
CID 24752174
2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid
CID 24752318
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304
N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate
CID 170991435
2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]propanoic acid
CID 69405879
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7652508
N-(2-aminopropyl)-2,5-dimethoxybenzamide
CID 63731879
4-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 81063117
3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368930
N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide
CID 115701620

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid (CID 24752603) is 2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid is COc1ccc2cc(OC)c(C(=O)NCC(C)c3ccc(OC(C)(C)C(=O)O)cc3)cc2c1.
What is the InChIKey of 2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid?
The InChIKey is ZCNSMSBTQIAERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO6/c1-16(17-6-9-20(10-7-17)33-26(2,3)25(29)30)15-27-24(28)22-13-19-12-21(31-4)11-8-18(19)14-23(22)32-5/h6-14,16H,15H2,1-5H3,(H,27,28)(H,29,30).
What are the key properties of 2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid?
2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid has a molecular weight of 451.52 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(3,7-dimethoxynaphthalene-2-carbonyl)amino]propan-2-yl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 24752603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).