N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide

C20H24N2O4 — CID 55662715

IUPACN-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
SMILESCOCCOc1ccc(CNC(=O)CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O4/c1-25-13-14-26-18-9-7-16(8-10-18)15-22-19(23)11-12-21-20(24)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,24)(H,22,23)
InChIKeyTZGRTDGPHCTFMF-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.15
Rot. Bonds10

About N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide

N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide (PubChem CID 55662715) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
PubChem CID55662715
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
SMILESCOCCOc1ccc(CNC(=O)CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O4/c1-25-13-14-26-18-9-7-16(8-10-18)15-22-19(23)11-12-21-20(24)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,24)(H,22,23)
InChIKeyTZGRTDGPHCTFMF-UHFFFAOYSA-N
XLogP2.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.15
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-(benzylamino)-3-oxopropyl]-4-(methoxymethyl)benzamide
CID 60608621
N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 24644344
N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 16602215
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46655947
4-[[4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20988279
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 55662373
N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide
CID 17353739
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
CID 170306694

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide (CID 55662715) is N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide is COCCOc1ccc(CNC(=O)CCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide?
The InChIKey is TZGRTDGPHCTFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-25-13-14-26-18-9-7-16(8-10-18)15-22-19(23)11-12-21-20(24)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide?
N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide has a molecular weight of 356.42 g/mol, XLogP of 2.15, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 55662715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).