N-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide

C18H35N3O3 — CID 86958670

IUPACN-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide
SMILESCCOCCCN1CCC(NC(=O)CNC(=O)C(C)CC)C(C)C1
InChIInChI=1S/C18H35N3O3/c1-5-14(3)18(23)19-12-17(22)20-16-8-10-21(13-15(16)4)9-7-11-24-6-2/h14-16H,5-13H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyOUEGHXUWHWWLPI-UHFFFAOYSA-N
MW341.50 g/mol
LogP1.40
Rot. Bonds10

About N-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide

N-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide (PubChem CID 86958670) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide
PubChem CID86958670
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC NameN-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide
SMILESCCOCCCN1CCC(NC(=O)CNC(=O)C(C)CC)C(C)C1
InChIInChI=1S/C18H35N3O3/c1-5-14(3)18(23)19-12-17(22)20-16-8-10-21(13-15(16)4)9-7-11-24-6-2/h14-16H,5-13H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyOUEGHXUWHWWLPI-UHFFFAOYSA-N
XLogP1.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide
CID 119887515
2-[(1R)-cyclopent-2-en-1-yl]-N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide
CID 98764224
(1R)-N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 100900016
3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide
CID 96551104
2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 119887541
2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119887540
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine
CID 100857566
N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine
CID 97029599
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-1-(3-ethoxypropyl)-3-methylpiperidin-4-amine
CID 102561056
N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen
CID 171539223
N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 167098946

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide?
The IUPAC name of N-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide (CID 86958670) is N-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide.
What is the SMILES notation for N-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide?
The canonical SMILES for N-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide is CCOCCCN1CCC(NC(=O)CNC(=O)C(C)CC)C(C)C1.
What is the InChIKey of N-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide?
The InChIKey is OUEGHXUWHWWLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-5-14(3)18(23)19-12-17(22)20-16-8-10-21(13-15(16)4)9-7-11-24-6-2/h14-16H,5-13H2,1-4H3,(H,19,23)(H,20,22).
What are the key properties of N-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide?
N-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide has a molecular weight of 341.50 g/mol, XLogP of 1.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide is sourced from PubChem (CID 86958670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).