N-[[(4R)-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide

C23H29N3O5 — CID 89190924

IUPACN-[[(4R)-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide
SMILESC=C(/C=C\C(=C/C)OC)CN(C=O)C[C@@]1(c2ccc(OC(C)C)cc2)NC(=O)NC1=O
InChIInChI=1S/C23H29N3O5/c1-6-19(30-5)10-7-17(4)13-26(15-27)14-23(21(28)24-22(29)25-23)18-8-11-20(12-9-18)31-16(2)3/h6-12,15-16H,4,13-14H2,1-3,5H3,(H2,24,25,28,29)/b10-7-,19-6+/t23-/m0/s1
InChIKeyLJFHZVWGQVVMRN-KGKZBQAXSA-N
MW427.50 g/mol
LogP2.63
Rot. Bonds11

About N-[[(4R)-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide

N-[[(4R)-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide (PubChem CID 89190924) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[[(4R)-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide.

Molecular Properties

Compound NameN-[[(4R)-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide
PubChem CID89190924
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC NameN-[[(4R)-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide
SMILESC=C(/C=C\C(=C/C)OC)CN(C=O)C[C@@]1(c2ccc(OC(C)C)cc2)NC(=O)NC1=O
InChIInChI=1S/C23H29N3O5/c1-6-19(30-5)10-7-17(4)13-26(15-27)14-23(21(28)24-22(29)25-23)18-8-11-20(12-9-18)31-16(2)3/h6-12,15-16H,4,13-14H2,1-3,5H3,(H2,24,25,28,29)/b10-7-,19-6+/t23-/m0/s1
InChIKeyLJFHZVWGQVVMRN-KGKZBQAXSA-N
XLogP2.63
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[[(4R)-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide with MolForge

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Related Compounds

N-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dioxoimidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide
CID 88973941
2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene;5-ethyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 143510343
2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid
CID 75532094
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid
CID 146180545
(3E,5E)-4-methoxy-2-methylidene-5-(4-propan-2-yloxyphenoxy)hepta-3,5-dienoic acid
CID 142566798
3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
CID 584279
methyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate
CID 62706893
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 43616366
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 71964859
(E)-3-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 30384892
2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one
CID 82997997

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide?
The IUPAC name of N-[[(4R)-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide (CID 89190924) is N-[[(4R)-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide.
What is the SMILES notation for N-[[(4R)-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide?
The canonical SMILES for N-[[(4R)-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide is C=C(/C=C\C(=C/C)OC)CN(C=O)C[C@@]1(c2ccc(OC(C)C)cc2)NC(=O)NC1=O.
What is the InChIKey of N-[[(4R)-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide?
The InChIKey is LJFHZVWGQVVMRN-KGKZBQAXSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-6-19(30-5)10-7-17(4)13-26(15-27)14-23(21(28)24-22(29)25-23)18-8-11-20(12-9-18)31-16(2)3/h6-12,15-16H,4,13-14H2,1-3,5H3,(H2,24,25,28,29)/b10-7-,19-6+/t23-/m0/s1.
What are the key properties of N-[[(4R)-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide?
N-[[(4R)-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide has a molecular weight of 427.50 g/mol, XLogP of 2.63, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide is sourced from PubChem (CID 89190924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).