N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C23H30N2O4 — CID 46449236

IUPACN-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCOc1cccc(OCCNC(=O)C(CC(C)C)NC(=O)c2ccccc2C)c1
InChIInChI=1S/C23H30N2O4/c1-16(2)14-21(25-22(26)20-11-6-5-8-17(20)3)23(27)24-12-13-29-19-10-7-9-18(15-19)28-4/h5-11,15-16,21H,12-14H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyXQZQOTOQQRGYLW-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.34
Rot. Bonds10

About N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 46449236) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID46449236
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCOc1cccc(OCCNC(=O)C(CC(C)C)NC(=O)c2ccccc2C)c1
InChIInChI=1S/C23H30N2O4/c1-16(2)14-21(25-22(26)20-11-6-5-8-17(20)3)23(27)24-12-13-29-19-10-7-9-18(15-19)28-4/h5-11,15-16,21H,12-14H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyXQZQOTOQQRGYLW-UHFFFAOYSA-N
XLogP3.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-ethoxypropylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78785278
1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 35646115
2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide
CID 9483335
2-methyl-N-[(2R)-4-methyl-1-oxo-1-(2-phenylsulfanylethylamino)pentan-2-yl]benzamide
CID 9482953
N-[1-[4-(3-methoxybenzoyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 46570379
2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794
N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78878408
N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
CID 113099793
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 26002664
N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 43010152
(2S)-N-[2-(3-methoxyphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100509267
2-methyl-N-[4-methyl-1-oxo-1-[[3-oxo-3-(prop-2-ynylamino)propyl]amino]pentan-2-yl]benzamide
CID 49209114

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 46449236) is N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is COc1cccc(OCCNC(=O)C(CC(C)C)NC(=O)c2ccccc2C)c1.
What is the InChIKey of N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is XQZQOTOQQRGYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-16(2)14-21(25-22(26)20-11-6-5-8-17(20)3)23(27)24-12-13-29-19-10-7-9-18(15-19)28-4/h5-11,15-16,21H,12-14H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 398.50 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 46449236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).