N-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide

C19H28N2O4 — CID 131949645

IUPACN-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
SMILESCOCCOC1CCN(C(=O)c2cccc(NC(=O)C(C)C)c2)CC1
InChIInChI=1S/C19H28N2O4/c1-14(2)18(22)20-16-6-4-5-15(13-16)19(23)21-9-7-17(8-10-21)25-12-11-24-3/h4-6,13-14,17H,7-12H2,1-3H3,(H,20,22)
InChIKeyITQMIMUUGHGITG-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.55
Rot. Bonds7

About N-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide

N-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide (PubChem CID 131949645) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
PubChem CID131949645
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
SMILESCOCCOC1CCN(C(=O)c2cccc(NC(=O)C(C)C)c2)CC1
InChIInChI=1S/C19H28N2O4/c1-14(2)18(22)20-16-6-4-5-15(13-16)19(23)21-9-7-17(8-10-21)25-12-11-24-3/h4-6,13-14,17H,7-12H2,1-3H3,(H,20,22)
InChIKeyITQMIMUUGHGITG-UHFFFAOYSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829294
2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54843283
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-(3-methylbutoxy)piperidine-1-carboxamide
CID 112838670
2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352926
1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 46387291
N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
CID 110931885
N-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-2-methylpropanamide
CID 889511
methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate
CID 3585170
2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 43886884
1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 55697566
N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843222

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide (CID 131949645) is N-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide is COCCOC1CCN(C(=O)c2cccc(NC(=O)C(C)C)c2)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide?
The InChIKey is ITQMIMUUGHGITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14(2)18(22)20-16-6-4-5-15(13-16)19(23)21-9-7-17(8-10-21)25-12-11-24-3/h4-6,13-14,17H,7-12H2,1-3H3,(H,20,22).
What are the key properties of N-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide?
N-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide has a molecular weight of 348.44 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 131949645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).