2-(diethylamino)-N-[4-[5-[[2-(diethylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide

C25H33N5O3 — CID 661005

IUPAC2-(diethylamino)-N-[4-[5-[[2-(diethylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(-c2nc3cc(NC(=O)CN(CC)CC)ccc3o2)cc1
InChIInChI=1S/C25H33N5O3/c1-5-29(6-2)16-23(31)26-19-11-9-18(10-12-19)25-28-21-15-20(13-14-22(21)33-25)27-24(32)17-30(7-3)8-4/h9-15H,5-8,16-17H2,1-4H3,(H,26,31)(H,27,32)
InChIKeyXKVSASJQGCZUIK-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.06
Rot. Bonds11

About 2-(diethylamino)-N-[4-[5-[[2-(diethylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide

2-(diethylamino)-N-[4-[5-[[2-(diethylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide (PubChem CID 661005) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-(diethylamino)-N-[4-[5-[[2-(diethylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[4-[5-[[2-(diethylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
PubChem CID661005
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name2-(diethylamino)-N-[4-[5-[[2-(diethylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(-c2nc3cc(NC(=O)CN(CC)CC)ccc3o2)cc1
InChIInChI=1S/C25H33N5O3/c1-5-29(6-2)16-23(31)26-19-11-9-18(10-12-19)25-28-21-15-20(13-14-22(21)33-25)27-24(32)17-30(7-3)8-4/h9-15H,5-8,16-17H2,1-4H3,(H,26,31)(H,27,32)
InChIKeyXKVSASJQGCZUIK-UHFFFAOYSA-N
XLogP4.06
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[4-[5-[[2-(diethylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[4-[5-[[2-(diethylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide (CID 661005) is 2-(diethylamino)-N-[4-[5-[[2-(diethylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[4-[5-[[2-(diethylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[4-[5-[[2-(diethylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide is CCN(CC)CC(=O)Nc1ccc(-c2nc3cc(NC(=O)CN(CC)CC)ccc3o2)cc1.
What is the InChIKey of 2-(diethylamino)-N-[4-[5-[[2-(diethylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide?
The InChIKey is XKVSASJQGCZUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-5-29(6-2)16-23(31)26-19-11-9-18(10-12-19)25-28-21-15-20(13-14-22(21)33-25)27-24(32)17-30(7-3)8-4/h9-15H,5-8,16-17H2,1-4H3,(H,26,31)(H,27,32).
What are the key properties of 2-(diethylamino)-N-[4-[5-[[2-(diethylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide?
2-(diethylamino)-N-[4-[5-[[2-(diethylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide has a molecular weight of 451.57 g/mol, XLogP of 4.06, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[4-[5-[[2-(diethylamino)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 661005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).