[2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate

C24H29NO7 — CID 16501147

IUPAC[2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC(C)C)c(OC)c2)cc1
InChIInChI=1S/C24H29NO7/c1-5-6-13-30-23(27)17-7-10-19(11-8-17)25-22(26)15-31-24(28)18-9-12-20(32-16(2)3)21(14-18)29-4/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,25,26)
InChIKeyDKXCNUKXJBKOFA-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.23
Rot. Bonds11

About [2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate

[2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate (PubChem CID 16501147) has the molecular formula C24H29NO7 and a molecular weight of 443.50 g/mol. Its IUPAC name is [2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name[2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
PubChem CID16501147
Molecular FormulaC24H29NO7
Molecular Weight443.50 g/mol
Exact Mass443.19
IUPAC Name[2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC(C)C)c(OC)c2)cc1
InChIInChI=1S/C24H29NO7/c1-5-6-13-30-23(27)17-7-10-19(11-8-17)25-22(26)15-31-24(28)18-9-12-20(32-16(2)3)21(14-18)29-4/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,25,26)
InChIKeyDKXCNUKXJBKOFA-UHFFFAOYSA-N
XLogP4.23
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501375
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501296
butyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]benzoate
CID 7984511
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-ethoxy-3-methoxybenzoate
CID 7416061
butyl 4-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]benzoate
CID 7894174
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501579
butyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate
CID 29199685
butyl 4-[(2-methoxyacetyl)amino]benzoate
CID 19178350
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501137
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501312
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501340
[2-(4-tert-butylanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 7214375

Frequently Asked Questions

What is the IUPAC name of [2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate?
The IUPAC name of [2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate (CID 16501147) is [2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate.
What is the SMILES notation for [2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate?
The canonical SMILES for [2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate is CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC(C)C)c(OC)c2)cc1.
What is the InChIKey of [2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate?
The InChIKey is DKXCNUKXJBKOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO7/c1-5-6-13-30-23(27)17-7-10-19(11-8-17)25-22(26)15-31-24(28)18-9-12-20(32-16(2)3)21(14-18)29-4/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,25,26).
What are the key properties of [2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate?
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate has a molecular weight of 443.50 g/mol, XLogP of 4.23, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate is sourced from PubChem (CID 16501147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).