1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one

C15H21N3O3 — CID 8789162

IUPAC1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
SMILESCOc1cccc(CN(C)[C@@H](C)C(=O)N2CCNC2=O)c1
InChIInChI=1S/C15H21N3O3/c1-11(14(19)18-8-7-16-15(18)20)17(2)10-12-5-4-6-13(9-12)21-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,16,20)/t11-/m0/s1
InChIKeyZNGZSYFUXFWDJM-NSHDSACASA-N
MW291.35 g/mol
LogP1.07
Rot. Bonds5

About 1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one

1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one (PubChem CID 8789162) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
PubChem CID8789162
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
SMILESCOc1cccc(CN(C)[C@@H](C)C(=O)N2CCNC2=O)c1
InChIInChI=1S/C15H21N3O3/c1-11(14(19)18-8-7-16-15(18)20)17(2)10-12-5-4-6-13(9-12)21-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,16,20)/t11-/m0/s1
InChIKeyZNGZSYFUXFWDJM-NSHDSACASA-N
XLogP1.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8789013
1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8694902
1-[(2R)-2-[(4-chlorophenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8541173
2-[(3-methoxyphenyl)methyl-methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 78787759
1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one
CID 8595959
1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one
CID 35041841
1-(3-methoxybenzoyl)imidazolidin-2-one
CID 54776384
1-[(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8993801
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787774
(2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 124757474
2-[(3-methoxyphenyl)methyl-methylamino]butanamide
CID 62899149
1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 18091670

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one (CID 8789162) is 1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one is COc1cccc(CN(C)[C@@H](C)C(=O)N2CCNC2=O)c1.
What is the InChIKey of 1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one?
The InChIKey is ZNGZSYFUXFWDJM-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(14(19)18-8-7-16-15(18)20)17(2)10-12-5-4-6-13(9-12)21-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,16,20)/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one?
1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one has a molecular weight of 291.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8789162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).