methyl 2-[(4-methylbenzoyl)-propan-2-ylamino]-8-phenylmethoxydibenzofuran-3-carboxylate

C32H29NO5 — CID 67473459

IUPACmethyl 2-[(4-methylbenzoyl)-propan-2-ylamino]-8-phenylmethoxydibenzofuran-3-carboxylate
SMILESCOC(=O)c1cc2oc3ccc(OCc4ccccc4)cc3c2cc1N(C(=O)c1ccc(C)cc1)C(C)C
InChIInChI=1S/C32H29NO5/c1-20(2)33(31(34)23-12-10-21(3)11-13-23)28-17-26-25-16-24(37-19-22-8-6-5-7-9-22)14-15-29(25)38-30(26)18-27(28)32(35)36-4/h5-18,20H,19H2,1-4H3
InChIKeyRZJXAQUICSGZNP-UHFFFAOYSA-N
MW507.59 g/mol
LogP7.32
Rot. Bonds7

About methyl 2-[(4-methylbenzoyl)-propan-2-ylamino]-8-phenylmethoxydibenzofuran-3-carboxylate

methyl 2-[(4-methylbenzoyl)-propan-2-ylamino]-8-phenylmethoxydibenzofuran-3-carboxylate (PubChem CID 67473459) has the molecular formula C32H29NO5 and a molecular weight of 507.59 g/mol. Its IUPAC name is methyl 2-[(4-methylbenzoyl)-propan-2-ylamino]-8-phenylmethoxydibenzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-methylbenzoyl)-propan-2-ylamino]-8-phenylmethoxydibenzofuran-3-carboxylate
PubChem CID67473459
Molecular FormulaC32H29NO5
Molecular Weight507.59 g/mol
Exact Mass507.20
IUPAC Namemethyl 2-[(4-methylbenzoyl)-propan-2-ylamino]-8-phenylmethoxydibenzofuran-3-carboxylate
SMILESCOC(=O)c1cc2oc3ccc(OCc4ccccc4)cc3c2cc1N(C(=O)c1ccc(C)cc1)C(C)C
InChIInChI=1S/C32H29NO5/c1-20(2)33(31(34)23-12-10-21(3)11-13-23)28-17-26-25-16-24(37-19-22-8-6-5-7-9-22)14-15-29(25)38-30(26)18-27(28)32(35)36-4/h5-18,20H,19H2,1-4H3
InChIKeyRZJXAQUICSGZNP-UHFFFAOYSA-N
XLogP7.32
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(methoxymethyl)-2-[(4-methylbenzoyl)-propan-2-ylamino]dibenzofuran-3-carboxylic acid
CID 45255373
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate
CID 26841545
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379631
methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate
CID 1286937
2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid
CID 24738388
2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10543442
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide
CID 97498534
2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379677
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylbenzoyl)-propan-2-ylamino]-8-phenylmethoxydibenzofuran-3-carboxylate?
The IUPAC name of methyl 2-[(4-methylbenzoyl)-propan-2-ylamino]-8-phenylmethoxydibenzofuran-3-carboxylate (CID 67473459) is methyl 2-[(4-methylbenzoyl)-propan-2-ylamino]-8-phenylmethoxydibenzofuran-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-methylbenzoyl)-propan-2-ylamino]-8-phenylmethoxydibenzofuran-3-carboxylate?
The canonical SMILES for methyl 2-[(4-methylbenzoyl)-propan-2-ylamino]-8-phenylmethoxydibenzofuran-3-carboxylate is COC(=O)c1cc2oc3ccc(OCc4ccccc4)cc3c2cc1N(C(=O)c1ccc(C)cc1)C(C)C.
What is the InChIKey of methyl 2-[(4-methylbenzoyl)-propan-2-ylamino]-8-phenylmethoxydibenzofuran-3-carboxylate?
The InChIKey is RZJXAQUICSGZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO5/c1-20(2)33(31(34)23-12-10-21(3)11-13-23)28-17-26-25-16-24(37-19-22-8-6-5-7-9-22)14-15-29(25)38-30(26)18-27(28)32(35)36-4/h5-18,20H,19H2,1-4H3.
What are the key properties of methyl 2-[(4-methylbenzoyl)-propan-2-ylamino]-8-phenylmethoxydibenzofuran-3-carboxylate?
methyl 2-[(4-methylbenzoyl)-propan-2-ylamino]-8-phenylmethoxydibenzofuran-3-carboxylate has a molecular weight of 507.59 g/mol, XLogP of 7.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methylbenzoyl)-propan-2-ylamino]-8-phenylmethoxydibenzofuran-3-carboxylate is sourced from PubChem (CID 67473459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).