2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide

C18H26N4O3 — CID 55717079

IUPAC2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C18H26N4O3/c1-18(2,3)16(24)19-9-5-8-15(23)21-13-6-4-7-14(12-13)22-11-10-20-17(22)25/h4,6-7,12H,5,8-11H2,1-3H3,(H,19,24)(H,20,25)(H,21,23)
InChIKeyPVAKKNVRMZVVER-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.10
Rot. Bonds6

About 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide

2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide (PubChem CID 55717079) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide
PubChem CID55717079
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C18H26N4O3/c1-18(2,3)16(24)19-9-5-8-15(23)21-13-6-4-7-14(12-13)22-11-10-20-17(22)25/h4,6-7,12H,5,8-11H2,1-3H3,(H,19,24)(H,20,25)(H,21,23)
InChIKeyPVAKKNVRMZVVER-UHFFFAOYSA-N
XLogP2.10
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide
CID 32756509
N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide
CID 55719816
3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 63679045
4-(4-chlorophenyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 55779261
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
4-(5-methylthiophen-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 71861057
(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 94799953
4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 55716802
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 55719879
2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
CID 47039442
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 154834572
1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 100624959

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide (CID 55717079) is 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide is CC(C)(C)C(=O)NCCCC(=O)Nc1cccc(N2CCNC2=O)c1.
What is the InChIKey of 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide?
The InChIKey is PVAKKNVRMZVVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-18(2,3)16(24)19-9-5-8-15(23)21-13-6-4-7-14(12-13)22-11-10-20-17(22)25/h4,6-7,12H,5,8-11H2,1-3H3,(H,19,24)(H,20,25)(H,21,23).
What are the key properties of 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide?
2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide has a molecular weight of 346.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide is sourced from PubChem (CID 55717079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).