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

C18H25N3O4 — CID 51497690

IUPAC(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methoxyphenyl)propyl]propanamide
SMILESCOc1ccccc1CCCNC(=O)[C@H](C)N1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C18H25N3O4/c1-12(21-16(23)18(2,3)20-17(21)24)15(22)19-11-7-9-13-8-5-6-10-14(13)25-4/h5-6,8,10,12H,7,9,11H2,1-4H3,(H,19,22)(H,20,24)/t12-/m0/s1
InChIKeyQRQMOMWCFOERDO-LBPRGKRZSA-N
MW347.42 g/mol
LogP1.46
Rot. Bonds7

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

(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methoxyphenyl)propyl]propanamide (PubChem CID 51497690) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methoxyphenyl)propyl]propanamide
PubChem CID51497690
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methoxyphenyl)propyl]propanamide
SMILESCOc1ccccc1CCCNC(=O)[C@H](C)N1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C18H25N3O4/c1-12(21-16(23)18(2,3)20-17(21)24)15(22)19-11-7-9-13-8-5-6-10-14(13)25-4/h5-6,8,10,12H,7,9,11H2,1-4H3,(H,19,22)(H,20,24)/t12-/m0/s1
InChIKeyQRQMOMWCFOERDO-LBPRGKRZSA-N
XLogP1.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
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

(2R)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]propanamide
CID 51498109
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 46963426
(2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 51495865
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 92685168
2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 132653883
N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43907336
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 38007237
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 46786760
(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 99954339
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56892746

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methoxyphenyl)propyl]propanamide?
The IUPAC name of (2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methoxyphenyl)propyl]propanamide (CID 51497690) is (2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methoxyphenyl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methoxyphenyl)propyl]propanamide?
The canonical SMILES for (2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methoxyphenyl)propyl]propanamide is COc1ccccc1CCCNC(=O)[C@H](C)N1C(=O)NC(C)(C)C1=O.
What is the InChIKey of (2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methoxyphenyl)propyl]propanamide?
The InChIKey is QRQMOMWCFOERDO-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12(21-16(23)18(2,3)20-17(21)24)15(22)19-11-7-9-13-8-5-6-10-14(13)25-4/h5-6,8,10,12H,7,9,11H2,1-4H3,(H,19,22)(H,20,24)/t12-/m0/s1.
What are the key properties of (2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methoxyphenyl)propyl]propanamide?
(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methoxyphenyl)propyl]propanamide has a molecular weight of 347.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methoxyphenyl)propyl]propanamide is sourced from PubChem (CID 51497690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).