2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[3-(2,5-dimethylphenoxy)propyl]-N-methylacetamide

C19H27N3O4 — CID 97149351

IUPAC2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[3-(2,5-dimethylphenoxy)propyl]-N-methylacetamide
SMILESCc1ccc(C)c(OCCCN(C)C(=O)C[C@H]2C(=O)N(C)C(=O)N2C)c1
InChIInChI=1S/C19H27N3O4/c1-13-7-8-14(2)16(11-13)26-10-6-9-20(3)17(23)12-15-18(24)22(5)19(25)21(15)4/h7-8,11,15H,6,9-10,12H2,1-5H3/t15-/m0/s1
InChIKeyNZNBJNBVPJEYKO-HNNXBMFYSA-N
MW361.44 g/mol
LogP1.81
Rot. Bonds7

About 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[3-(2,5-dimethylphenoxy)propyl]-N-methylacetamide

2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[3-(2,5-dimethylphenoxy)propyl]-N-methylacetamide (PubChem CID 97149351) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[3-(2,5-dimethylphenoxy)propyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[3-(2,5-dimethylphenoxy)propyl]-N-methylacetamide
PubChem CID97149351
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[3-(2,5-dimethylphenoxy)propyl]-N-methylacetamide
SMILESCc1ccc(C)c(OCCCN(C)C(=O)C[C@H]2C(=O)N(C)C(=O)N2C)c1
InChIInChI=1S/C19H27N3O4/c1-13-7-8-14(2)16(11-13)26-10-6-9-20(3)17(23)12-15-18(24)22(5)19(25)21(15)4/h7-8,11,15H,6,9-10,12H2,1-5H3/t15-/m0/s1
InChIKeyNZNBJNBVPJEYKO-HNNXBMFYSA-N
XLogP1.81
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,5-dimethylphenoxy)propyl]-N-methyl-2-[(3R)-oxan-3-yl]acetamide
CID 126453786
N-[3-(2,5-dimethylphenoxy)propyl]-N-methyl-2-[(3S)-oxan-3-yl]acetamide
CID 126453785
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate
CID 61243938
1-[3-(2,5-dimethylphenoxy)propyl]-1-methyl-3-[(3S)-1-methylpiperidin-3-yl]urea
CID 125441547
2-[5-(2,5-dimethylphenoxy)pentanoyl-methylamino]acetic acid
CID 119172218
1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidine-2-carboxylic acid
CID 43442169
2-[3-(2,5-dimethylphenoxy)propyl-(2-methylpropyl)amino]acetic acid
CID 63066276
3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 63939271
3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 61039897
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 43441878
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[3-(2,5-dimethylphenoxy)propyl]-N-methylacetamide?
The IUPAC name of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[3-(2,5-dimethylphenoxy)propyl]-N-methylacetamide (CID 97149351) is 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[3-(2,5-dimethylphenoxy)propyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[3-(2,5-dimethylphenoxy)propyl]-N-methylacetamide?
The canonical SMILES for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[3-(2,5-dimethylphenoxy)propyl]-N-methylacetamide is Cc1ccc(C)c(OCCCN(C)C(=O)C[C@H]2C(=O)N(C)C(=O)N2C)c1.
What is the InChIKey of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[3-(2,5-dimethylphenoxy)propyl]-N-methylacetamide?
The InChIKey is NZNBJNBVPJEYKO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13-7-8-14(2)16(11-13)26-10-6-9-20(3)17(23)12-15-18(24)22(5)19(25)21(15)4/h7-8,11,15H,6,9-10,12H2,1-5H3/t15-/m0/s1.
What are the key properties of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[3-(2,5-dimethylphenoxy)propyl]-N-methylacetamide?
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[3-(2,5-dimethylphenoxy)propyl]-N-methylacetamide has a molecular weight of 361.44 g/mol, XLogP of 1.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[3-(2,5-dimethylphenoxy)propyl]-N-methylacetamide is sourced from PubChem (CID 97149351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).