N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

C20H27N5O5 — CID 9214116

IUPACN-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESC/C(=N/NC(=O)CCN1C(=O)NC(C)(C)C1=O)c1ccc(OCC(=O)N(C)C)cc1
InChIInChI=1S/C20H27N5O5/c1-13(14-6-8-15(9-7-14)30-12-17(27)24(4)5)22-23-16(26)10-11-25-18(28)20(2,3)21-19(25)29/h6-9H,10-12H2,1-5H3,(H,21,29)(H,23,26)/b22-13-
InChIKeyVQSSUFVCNQGBLR-XKZIYDEJSA-N
MW417.47 g/mol
LogP0.71
Rot. Bonds8

About N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (PubChem CID 9214116) has the molecular formula C20H27N5O5 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
PubChem CID9214116
Molecular FormulaC20H27N5O5
Molecular Weight417.47 g/mol
Exact Mass417.20
IUPAC NameN-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESC/C(=N/NC(=O)CCN1C(=O)NC(C)(C)C1=O)c1ccc(OCC(=O)N(C)C)cc1
InChIInChI=1S/C20H27N5O5/c1-13(14-6-8-15(9-7-14)30-12-17(27)24(4)5)22-23-16(26)10-11-25-18(28)20(2,3)21-19(25)29/h6-9H,10-12H2,1-5H3,(H,21,29)(H,23,26)/b22-13-
InChIKeyVQSSUFVCNQGBLR-XKZIYDEJSA-N
XLogP0.71
TPSA120.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9213764
N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9315862
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9213505
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]propanamide
CID 9213385
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-(2-methylphenyl)ethylideneamino]propanamide
CID 9214057
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9213512
N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 55352920
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-(4-fluorophenyl)propylideneamino]propanamide
CID 9213702
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 135577156
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-(4-methoxynaphthalen-1-yl)ethylideneamino]propanamide
CID 9214359
N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9026582
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N,N-dimethylacetamide
CID 24701395

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The IUPAC name of N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (CID 9214116) is N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.
What is the SMILES notation for N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The canonical SMILES for N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is C/C(=N/NC(=O)CCN1C(=O)NC(C)(C)C1=O)c1ccc(OCC(=O)N(C)C)cc1.
What is the InChIKey of N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The InChIKey is VQSSUFVCNQGBLR-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H27N5O5/c1-13(14-6-8-15(9-7-14)30-12-17(27)24(4)5)22-23-16(26)10-11-25-18(28)20(2,3)21-19(25)29/h6-9H,10-12H2,1-5H3,(H,21,29)(H,23,26)/b22-13-.
What are the key properties of N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide has a molecular weight of 417.47 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 9214116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).