N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide

C20H24N2O4 — CID 8935922

IUPACN-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
SMILESCOc1ccc(OCCNC(=O)CCNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C20H24N2O4/c1-15-5-3-4-6-18(15)20(24)22-12-11-19(23)21-13-14-26-17-9-7-16(25-2)8-10-17/h3-10H,11-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPLTQRMQUWAAQSM-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.32
Rot. Bonds9

About N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide

N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 8935922) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
PubChem CID8935922
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
SMILESCOc1ccc(OCCNC(=O)CCNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C20H24N2O4/c1-15-5-3-4-6-18(15)20(24)22-12-11-19(23)21-13-14-26-17-9-7-16(25-2)8-10-17/h3-10H,11-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPLTQRMQUWAAQSM-UHFFFAOYSA-N
XLogP2.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.32
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-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8530728
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033
2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8531999
N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide
CID 18090462
N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide
CID 39384704
2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 169325921
2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate
CID 32510530
N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbenzohydrazide
CID 732287
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9086478
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide (CID 8935922) is N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide is COc1ccc(OCCNC(=O)CCNC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is PLTQRMQUWAAQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-15-5-3-4-6-18(15)20(24)22-12-11-19(23)21-13-14-26-17-9-7-16(25-2)8-10-17/h3-10H,11-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 356.42 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 8935922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).