N-(9-ethylcarbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

C30H32N4O4 — CID 10256960

IUPACN-(9-ethylcarbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cc(OC)ccc54)CC3)ccc21
InChIInChI=1S/C30H32N4O4/c1-3-33-27-7-5-4-6-24(27)25-17-21(8-10-28(25)33)31-29(35)18-32-14-12-22(13-15-32)34-26-11-9-23(37-2)16-20(26)19-38-30(34)36/h4-11,16-17,22H,3,12-15,18-19H2,1-2H3,(H,31,35)
InChIKeyJEAAONDNZSTVDF-UHFFFAOYSA-N
MW512.61 g/mol
LogP5.38
Rot. Bonds6

About N-(9-ethylcarbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

N-(9-ethylcarbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (PubChem CID 10256960) has the molecular formula C30H32N4O4 and a molecular weight of 512.61 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
PubChem CID10256960
Molecular FormulaC30H32N4O4
Molecular Weight512.61 g/mol
Exact Mass512.24
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cc(OC)ccc54)CC3)ccc21
InChIInChI=1S/C30H32N4O4/c1-3-33-27-7-5-4-6-24(27)25-17-21(8-10-28(25)33)31-29(35)18-32-14-12-22(13-15-32)34-26-11-9-23(37-2)16-20(26)19-38-30(34)36/h4-11,16-17,22H,3,12-15,18-19H2,1-2H3,(H,31,35)
InChIKeyJEAAONDNZSTVDF-UHFFFAOYSA-N
XLogP5.38
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (CID 10256960) is N-(9-ethylcarbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cc(OC)ccc54)CC3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is JEAAONDNZSTVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4/c1-3-33-27-7-5-4-6-24(27)25-17-21(8-10-28(25)33)31-29(35)18-32-14-12-22(13-15-32)34-26-11-9-23(37-2)16-20(26)19-38-30(34)36/h4-11,16-17,22H,3,12-15,18-19H2,1-2H3,(H,31,35).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
N-(9-ethylcarbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 512.61 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 10256960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).