N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C22H30N4O4 — CID 110200266

IUPACN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C1CC(c2ccccc2)N(C(=O)CNC(=O)CN2CCCC2=O)CCCCCN1
InChIInChI=1S/C22H30N4O4/c27-19-14-18(17-8-3-1-4-9-17)26(13-6-2-5-11-23-19)22(30)15-24-20(28)16-25-12-7-10-21(25)29/h1,3-4,8-9,18H,2,5-7,10-16H2,(H,23,27)(H,24,28)
InChIKeyXNLBVAQQTPUMPD-UHFFFAOYSA-N
MW414.51 g/mol
LogP0.99
Rot. Bonds5

About N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 110200266) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID110200266
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C1CC(c2ccccc2)N(C(=O)CNC(=O)CN2CCCC2=O)CCCCCN1
InChIInChI=1S/C22H30N4O4/c27-19-14-18(17-8-3-1-4-9-17)26(13-6-2-5-11-23-19)22(30)15-24-20(28)16-25-12-7-10-21(25)29/h1,3-4,8-9,18H,2,5-7,10-16H2,(H,23,27)(H,24,28)
InChIKeyXNLBVAQQTPUMPD-UHFFFAOYSA-N
XLogP0.99
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
CID 110200267
2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide
CID 110202264
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-pyridin-4-ylacetamide
CID 110200231
1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea
CID 110200269
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide
CID 110200185
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
CID 110200203
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide
CID 110202267
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide
CID 110200186
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-1H-indole-2-carboxamide
CID 110200196
6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide
CID 110202252
5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one
CID 110200135
4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one
CID 110202198

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 110200266) is N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is O=C1CC(c2ccccc2)N(C(=O)CNC(=O)CN2CCCC2=O)CCCCCN1.
What is the InChIKey of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is XNLBVAQQTPUMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c27-19-14-18(17-8-3-1-4-9-17)26(13-6-2-5-11-23-19)22(30)15-24-20(28)16-25-12-7-10-21(25)29/h1,3-4,8-9,18H,2,5-7,10-16H2,(H,23,27)(H,24,28).
What are the key properties of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 414.51 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 110200266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).