N-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

C18H24N4O3 — CID 822092

IUPACN-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCCN(C)CC3)C2=O)cc1
InChIInChI=1S/C18H24N4O3/c1-13(23)19-14-4-6-15(7-5-14)22-17(24)12-16(18(22)25)21-9-3-8-20(2)10-11-21/h4-7,16H,3,8-12H2,1-2H3,(H,19,23)/t16-/m1/s1
InChIKeyAVEGWBUGBHQHEH-MRXNPFEDSA-N
MW344.41 g/mol
LogP0.91
Rot. Bonds3

About N-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

N-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (PubChem CID 822092) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
PubChem CID822092
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC NameN-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCCN(C)CC3)C2=O)cc1
InChIInChI=1S/C18H24N4O3/c1-13(23)19-14-4-6-15(7-5-14)22-17(24)12-16(18(22)25)21-9-3-8-20(2)10-11-21/h4-7,16H,3,8-12H2,1-2H3,(H,19,23)/t16-/m1/s1
InChIKeyAVEGWBUGBHQHEH-MRXNPFEDSA-N
XLogP0.91
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 1166710
ethyl 1-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 3148451
N-[4-[3-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 20980141
(3S)-3-(4-methylpiperazin-1-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
CID 1078963
1-(4-butoxyphenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2869017
N-[4-[3-(4-acetamidophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 19630691
N-[4-[(3R)-2,5-dioxo-3-piperidin-1-ium-1-ylpyrrolidin-1-yl]phenyl]acetamide
CID 6923629
N-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide
CID 29146918
N-[4-[(3S)-3-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 100911156
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide
CID 5145620
(3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1098265

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (CID 822092) is N-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCCN(C)CC3)C2=O)cc1.
What is the InChIKey of N-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is AVEGWBUGBHQHEH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13(23)19-14-4-6-15(7-5-14)22-17(24)12-16(18(22)25)21-9-3-8-20(2)10-11-21/h4-7,16H,3,8-12H2,1-2H3,(H,19,23)/t16-/m1/s1.
What are the key properties of N-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
N-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 344.41 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 822092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).