(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate

C24H29NO6 — CID 29191315

IUPAC(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate
SMILESCCCCOc1ccc(C(=O)NCC(=O)OCc2cc(C(C)=O)ccc2OCC)cc1
InChIInChI=1S/C24H29NO6/c1-4-6-13-30-21-10-7-18(8-11-21)24(28)25-15-23(27)31-16-20-14-19(17(3)26)9-12-22(20)29-5-2/h7-12,14H,4-6,13,15-16H2,1-3H3,(H,25,28)
InChIKeyHZKIOTWYTHTKKC-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.94
Rot. Bonds12

About (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate

(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate (PubChem CID 29191315) has the molecular formula C24H29NO6 and a molecular weight of 427.50 g/mol. Its IUPAC name is (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate
PubChem CID29191315
Molecular FormulaC24H29NO6
Molecular Weight427.50 g/mol
Exact Mass427.20
IUPAC Name(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate
SMILESCCCCOc1ccc(C(=O)NCC(=O)OCc2cc(C(C)=O)ccc2OCC)cc1
InChIInChI=1S/C24H29NO6/c1-4-6-13-30-21-10-7-18(8-11-21)24(28)25-15-23(27)31-16-20-14-19(17(3)26)9-12-22(20)29-5-2/h7-12,14H,4-6,13,15-16H2,1-3H3,(H,25,28)
InChIKeyHZKIOTWYTHTKKC-UHFFFAOYSA-N
XLogP3.94
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7878744
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
(5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate
CID 2121117
(2-ethoxyphenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788915
(5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 40582967
(5-acetyl-2-ethoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
CID 3358991
(5-acetyl-2-ethoxyphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 9141014
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 27928920
(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882051
(5-acetyl-2-ethoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678567
(2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 2554022
1-(4-butoxy-3-ethylphenyl)ethanone
CID 90741782

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate?
The IUPAC name of (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate (CID 29191315) is (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate.
What is the SMILES notation for (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate?
The canonical SMILES for (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate is CCCCOc1ccc(C(=O)NCC(=O)OCc2cc(C(C)=O)ccc2OCC)cc1.
What is the InChIKey of (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate?
The InChIKey is HZKIOTWYTHTKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO6/c1-4-6-13-30-21-10-7-18(8-11-21)24(28)25-15-23(27)31-16-20-14-19(17(3)26)9-12-22(20)29-5-2/h7-12,14H,4-6,13,15-16H2,1-3H3,(H,25,28).
What are the key properties of (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate?
(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate has a molecular weight of 427.50 g/mol, XLogP of 3.94, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate is sourced from PubChem (CID 29191315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).