N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide

C20H25N3O3 — CID 54835535

IUPACN-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O3/c1-23(18-7-4-3-5-8-18)19(24)15-22-17-11-9-16(10-12-17)20(25)21-13-6-14-26-2/h3-5,7-12,22H,6,13-15H2,1-2H3,(H,21,25)
InChIKeyYUIOYOVMYXLWMU-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.53
Rot. Bonds9

About N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide

N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54835535) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide
PubChem CID54835535
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O3/c1-23(18-7-4-3-5-8-18)19(24)15-22-17-11-9-16(10-12-17)20(25)21-13-6-14-26-2/h3-5,7-12,22H,6,13-15H2,1-2H3,(H,21,25)
InChIKeyYUIOYOVMYXLWMU-UHFFFAOYSA-N
XLogP2.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.53
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-methyl-4-[[2-(N-methylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838219
3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837360
N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
CID 54832356
2-(4-acetylanilino)-N-methyl-N-phenylacetamide
CID 42996589
4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide
CID 51224881
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523
N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54838526
N-[4-(N-methylanilino)-4-oxobutyl]benzamide
CID 15040615
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483
N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158
1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109043733
N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
CID 54836423

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide (CID 54835535) is N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide is COCCCNC(=O)c1ccc(NCC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is YUIOYOVMYXLWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-23(18-7-4-3-5-8-18)19(24)15-22-17-11-9-16(10-12-17)20(25)21-13-6-14-26-2/h3-5,7-12,22H,6,13-15H2,1-2H3,(H,21,25).
What are the key properties of N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide?
N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 355.44 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54835535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).