(2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

C20H28N4O3 — CID 51495865

IUPAC(2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESC[C@H](C(=O)NCCCN1CCCc2ccccc21)N1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C20H28N4O3/c1-14(24-18(26)20(2,3)22-19(24)27)17(25)21-11-7-13-23-12-6-9-15-8-4-5-10-16(15)23/h4-5,8,10,14H,6-7,9,11-13H2,1-3H3,(H,21,25)(H,22,27)/t14-/m1/s1
InChIKeyOUNDQQYFDZFJHJ-CQSZACIVSA-N
MW372.47 g/mol
LogP1.66
Rot. Bonds6

About (2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

(2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (PubChem CID 51495865) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
PubChem CID51495865
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name(2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESC[C@H](C(=O)NCCCN1CCCc2ccccc21)N1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C20H28N4O3/c1-14(24-18(26)20(2,3)22-19(24)27)17(25)21-11-7-13-23-12-6-9-15-8-4-5-10-16(15)23/h4-5,8,10,14H,6-7,9,11-13H2,1-3H3,(H,21,25)(H,22,27)/t14-/m1/s1
InChIKeyOUNDQQYFDZFJHJ-CQSZACIVSA-N
XLogP1.66
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.66
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

N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 46963655
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132655246
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-ethyl-7-oxoazepane-2-carboxamide
CID 91919456
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methoxyphenyl)propyl]propanamide
CID 51497690
1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(3,5-dimethylphenyl)urea
CID 23609343
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3,5-dimethylphenoxy)butanamide
CID 132657155
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(4-methylsulfonylphenyl)urea
CID 72864977
2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131946106
(3R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118463
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100562553

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The IUPAC name of (2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (CID 51495865) is (2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The canonical SMILES for (2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is C[C@H](C(=O)NCCCN1CCCc2ccccc21)N1C(=O)NC(C)(C)C1=O.
What is the InChIKey of (2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The InChIKey is OUNDQQYFDZFJHJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14(24-18(26)20(2,3)22-19(24)27)17(25)21-11-7-13-23-12-6-9-15-8-4-5-10-16(15)23/h4-5,8,10,14H,6-7,9,11-13H2,1-3H3,(H,21,25)(H,22,27)/t14-/m1/s1.
What are the key properties of (2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
(2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide has a molecular weight of 372.47 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 51495865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).