2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide

C18H26N2O3 — CID 139027118

IUPAC2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide
SMILESCc1ccccc1OCC(=O)NCC1(N2CCOCC2)CCC1
InChIInChI=1S/C18H26N2O3/c1-15-5-2-3-6-16(15)23-13-17(21)19-14-18(7-4-8-18)20-9-11-22-12-10-20/h2-3,5-6H,4,7-14H2,1H3,(H,19,21)
InChIKeyNIKBNAXRAKRCDP-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.74
Rot. Bonds6

About 2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide

2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide (PubChem CID 139027118) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide
PubChem CID139027118
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide
SMILESCc1ccccc1OCC(=O)NCC1(N2CCOCC2)CCC1
InChIInChI=1S/C18H26N2O3/c1-15-5-2-3-6-16(15)23-13-17(21)19-14-18(7-4-8-18)20-9-11-22-12-10-20/h2-3,5-6H,4,7-14H2,1H3,(H,19,21)
InChIKeyNIKBNAXRAKRCDP-UHFFFAOYSA-N
XLogP1.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994960
2-(2,4-difluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 39430568
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
CID 64868951
2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994956
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 30833944
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate
CID 55475345
2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 55658478
2-ethoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]naphthalene-1-carboxamide
CID 139028044
N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 126851990
(2S)-2-(2-methoxyphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 34948785
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 16569475

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide (CID 139027118) is 2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide is Cc1ccccc1OCC(=O)NCC1(N2CCOCC2)CCC1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide?
The InChIKey is NIKBNAXRAKRCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-15-5-2-3-6-16(15)23-13-17(21)19-14-18(7-4-8-18)20-9-11-22-12-10-20/h2-3,5-6H,4,7-14H2,1H3,(H,19,21).
What are the key properties of 2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide?
2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide is sourced from PubChem (CID 139027118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).