2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

C18H21N3O3 — CID 95147683

IUPAC2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O
InChIInChI=1S/C18H21N3O3/c1-4-11-19(12-5-2)16(22)13-20-17(23)14(3)21(18(20)24)15-9-7-6-8-10-15/h4-10,14H,1-2,11-13H2,3H3/t14-/m0/s1
InChIKeyHKPFXESRXDNLEW-AWEZNQCLSA-N
MW327.38 g/mol
LogP2.04
Rot. Bonds7

About 2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 95147683) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID95147683
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O
InChIInChI=1S/C18H21N3O3/c1-4-11-19(12-5-2)16(22)13-20-17(23)14(3)21(18(20)24)15-9-7-6-8-10-15/h4-10,14H,1-2,11-13H2,3H3/t14-/m0/s1
InChIKeyHKPFXESRXDNLEW-AWEZNQCLSA-N
XLogP2.04
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (CID 95147683) is 2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O.
What is the InChIKey of 2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is HKPFXESRXDNLEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-4-11-19(12-5-2)16(22)13-20-17(23)14(3)21(18(20)24)15-9-7-6-8-10-15/h4-10,14H,1-2,11-13H2,3H3/t14-/m0/s1.
What are the key properties of 2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 95147683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).