N-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide

C20H30N2O3 — CID 55897940

IUPACN-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide
SMILESCc1ccccc1OCCCN(C)C(=O)CN1CCCCCCC1=O
InChIInChI=1S/C20H30N2O3/c1-17-10-6-7-11-18(17)25-15-9-13-21(2)20(24)16-22-14-8-4-3-5-12-19(22)23/h6-7,10-11H,3-5,8-9,12-16H2,1-2H3
InChIKeyCVKVPAKBLBMQIO-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.02
Rot. Bonds7

About N-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide

N-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide (PubChem CID 55897940) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide
PubChem CID55897940
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide
SMILESCc1ccccc1OCCCN(C)C(=O)CN1CCCCCCC1=O
InChIInChI=1S/C20H30N2O3/c1-17-10-6-7-11-18(17)25-15-9-13-21(2)20(24)16-22-14-8-4-3-5-12-19(22)23/h6-7,10-11H,3-5,8-9,12-16H2,1-2H3
InChIKeyCVKVPAKBLBMQIO-UHFFFAOYSA-N
XLogP3.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide 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

N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869844
1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one
CID 62019552
2-(2-methylphenoxy)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722802
N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide
CID 120648217
1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide
CID 55898192
4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119298341
N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-2-carboxamide
CID 119298328
N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 72865270
N-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoimidazolidine-4-carboxamide
CID 71877849
N'-(2-cyanoethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]-N'-phenylbutanediamide
CID 56577605
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 26979830

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide?
The IUPAC name of N-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide (CID 55897940) is N-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide is Cc1ccccc1OCCCN(C)C(=O)CN1CCCCCCC1=O.
What is the InChIKey of N-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide?
The InChIKey is CVKVPAKBLBMQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-17-10-6-7-11-18(17)25-15-9-13-21(2)20(24)16-22-14-8-4-3-5-12-19(22)23/h6-7,10-11H,3-5,8-9,12-16H2,1-2H3.
What are the key properties of N-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide?
N-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide has a molecular weight of 346.47 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 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-(2-oxoazocan-1-yl)acetamide is sourced from PubChem (CID 55897940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).