4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide

C23H28N4O4 — CID 75430674

IUPAC4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)Cc2noc3ccccc23)cc1OC
InChIInChI=1S/C23H28N4O4/c1-4-27(5-2)13-12-24-23(29)18-11-10-16(14-21(18)30-3)25-22(28)15-19-17-8-6-7-9-20(17)31-26-19/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyYKYKVLUQAXRWQU-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.09
Rot. Bonds10

About 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide

4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide (PubChem CID 75430674) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
PubChem CID75430674
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)Cc2noc3ccccc23)cc1OC
InChIInChI=1S/C23H28N4O4/c1-4-27(5-2)13-12-24-23(29)18-11-10-16(14-21(18)30-3)25-22(28)15-19-17-8-6-7-9-20(17)31-26-19/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyYKYKVLUQAXRWQU-UHFFFAOYSA-N
XLogP3.09
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 33310841
N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide
CID 142817541
N-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-methoxyphenyl]-3-methylbutanamide
CID 50958245
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9270620
N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxybenzoyl)amino]-2-methoxybenzamide
CID 66934739
2-(1,2-benzoxazol-3-yl)-N-(2-methoxyphenyl)acetamide
CID 1235350
N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide
CID 142899826
2-(1,2-benzoxazol-3-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 9210932
N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide
CID 75430673
2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 64781445
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982732

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide?
The IUPAC name of 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide (CID 75430674) is 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide?
The canonical SMILES for 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)Cc2noc3ccccc23)cc1OC.
What is the InChIKey of 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide?
The InChIKey is YKYKVLUQAXRWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-4-27(5-2)13-12-24-23(29)18-11-10-16(14-21(18)30-3)25-22(28)15-19-17-8-6-7-9-20(17)31-26-19/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide?
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide has a molecular weight of 424.50 g/mol, XLogP of 3.09, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 75430674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).