N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide

C22H26N2O3 — CID 86896713

IUPACN-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCc1cccc(Oc2ccccc2CNC(=O)C(C)NC(=O)C2CCC2)c1
InChIInChI=1S/C22H26N2O3/c1-15-7-5-11-19(13-15)27-20-12-4-3-8-18(20)14-23-21(25)16(2)24-22(26)17-9-6-10-17/h3-5,7-8,11-13,16-17H,6,9-10,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGQVLWNJBLBPFAF-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.71
Rot. Bonds7

About N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide

N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide (PubChem CID 86896713) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
PubChem CID86896713
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCc1cccc(Oc2ccccc2CNC(=O)C(C)NC(=O)C2CCC2)c1
InChIInChI=1S/C22H26N2O3/c1-15-7-5-11-19(13-15)27-20-12-4-3-8-18(20)14-23-21(25)16(2)24-22(26)17-9-6-10-17/h3-5,7-8,11-13,16-17H,6,9-10,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGQVLWNJBLBPFAF-UHFFFAOYSA-N
XLogP3.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 86897083
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CID 43283112
1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122001141
2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
CID 146085901
N-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide
CID 146083553
N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119777833
(2R)-N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 92679385
2-(2-methoxyethylamino)-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
CID 119777851
1-(benzenesulfonyl)-N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 73259233
N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 6915501
N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119320245
N-[2-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266446

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide (CID 86896713) is N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide is Cc1cccc(Oc2ccccc2CNC(=O)C(C)NC(=O)C2CCC2)c1.
What is the InChIKey of N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The InChIKey is GQVLWNJBLBPFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-7-5-11-19(13-15)27-20-12-4-3-8-18(20)14-23-21(25)16(2)24-22(26)17-9-6-10-17/h3-5,7-8,11-13,16-17H,6,9-10,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 86896713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).