N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C19H21N5O4 — CID 42990251

IUPACN,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)N(CCC#N)CCC#N)C2=O)cc1
InChIInChI=1S/C19H21N5O4/c1-19(14-5-7-15(28-2)8-6-14)17(26)24(18(27)22-19)13-16(25)23(11-3-9-20)12-4-10-21/h5-8H,3-4,11-13H2,1-2H3,(H,22,27)
InChIKeyVEXKWZXKBUIRAZ-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.12
Rot. Bonds8

About N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 42990251) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID42990251
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC NameN,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)N(CCC#N)CCC#N)C2=O)cc1
InChIInChI=1S/C19H21N5O4/c1-19(14-5-7-15(28-2)8-6-14)17(26)24(18(27)22-19)13-16(25)23(11-3-9-20)12-4-10-21/h5-8H,3-4,11-13H2,1-2H3,(H,22,27)
InChIKeyVEXKWZXKBUIRAZ-UHFFFAOYSA-N
XLogP1.12
TPSA126.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 46642421
N-(2-cyanoethyl)-N-methyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43011043
2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide
CID 38858074
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16545006
(5S)-3-(2-bromoprop-2-enyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 95303678
N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 55664293
tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 42898029
N-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride
CID 119656734
N,N-dibutyl-2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571398
1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile
CID 49063610
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide
CID 8565898
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40881936

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 42990251) is N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc(C2(C)NC(=O)N(CC(=O)N(CCC#N)CCC#N)C2=O)cc1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is VEXKWZXKBUIRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-19(14-5-7-15(28-2)8-6-14)17(26)24(18(27)22-19)13-16(25)23(11-3-9-20)12-4-10-21/h5-8H,3-4,11-13H2,1-2H3,(H,22,27).
What are the key properties of N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 383.41 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 42990251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).