N-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide

C15H21N3O3 — CID 71877849

IUPACN-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide
SMILESCc1ccccc1OCCCN(C)C(=O)C1CNC(=O)N1
InChIInChI=1S/C15H21N3O3/c1-11-6-3-4-7-13(11)21-9-5-8-18(2)14(19)12-10-16-15(20)17-12/h3-4,6-7,12H,5,8-10H2,1-2H3,(H2,16,17,20)
InChIKeyLVGHLZBGLNTVHD-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.90
Rot. Bonds6

About N-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide

N-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 71877849) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID71877849
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide
SMILESCc1ccccc1OCCCN(C)C(=O)C1CNC(=O)N1
InChIInChI=1S/C15H21N3O3/c1-11-6-3-4-7-13(11)21-9-5-8-18(2)14(19)12-10-16-15(20)17-12/h3-4,6-7,12H,5,8-10H2,1-2H3,(H2,16,17,20)
InChIKeyLVGHLZBGLNTVHD-UHFFFAOYSA-N
XLogP0.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide
CID 119298328
(3R)-N-methyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 124513206
1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide
CID 55898192
(2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 120618998
(2R,3S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 120920151
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119944826
N-methyl-1-(2-methyl-5-nitrophenyl)sulfonyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide
CID 55897801
N-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide
CID 55897940
(4S,6R)-N-[3-(2-ethylphenoxy)propyl]-N,6-dimethyl-2-sulfanylidene-1,3-diazinane-4-carboxamide
CID 46988821
4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210479
2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 116676237
N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55955402

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide (CID 71877849) is N-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide is Cc1ccccc1OCCCN(C)C(=O)C1CNC(=O)N1.
What is the InChIKey of N-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is LVGHLZBGLNTVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-6-3-4-7-13(11)21-9-5-8-18(2)14(19)12-10-16-15(20)17-12/h3-4,6-7,12H,5,8-10H2,1-2H3,(H2,16,17,20).
What are the key properties of N-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide?
N-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71877849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).