N-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide

C21H27N3O3 — CID 54845673

IUPACN-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide
SMILESCCC(NCC(=O)Nc1ccc(C(=O)NCCOC)cc1)c1ccccc1
InChIInChI=1S/C21H27N3O3/c1-3-19(16-7-5-4-6-8-16)23-15-20(25)24-18-11-9-17(10-12-18)21(26)22-13-14-27-2/h4-12,19,23H,3,13-15H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyUXTUHLAPNUYJBM-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.74
Rot. Bonds10

About N-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide

N-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide (PubChem CID 54845673) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide
PubChem CID54845673
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide
SMILESCCC(NCC(=O)Nc1ccc(C(=O)NCCOC)cc1)c1ccccc1
InChIInChI=1S/C21H27N3O3/c1-3-19(16-7-5-4-6-8-16)23-15-20(25)24-18-11-9-17(10-12-18)21(26)22-13-14-27-2/h4-12,19,23H,3,13-15H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyUXTUHLAPNUYJBM-UHFFFAOYSA-N
XLogP2.74
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(1-phenylpropylamino)acetamide
CID 54845797
N-(4-ethoxyphenyl)-2-(1-phenylpropylamino)acetamide
CID 54845214
4-(butanoylamino)-N-(2-methoxyethyl)benzamide
CID 4265355
N-(2-methoxyethyl)-4-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 26163515
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836640
2-(1-phenylpropylamino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54845474
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 16561654
N-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide
CID 125161102
2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide
CID 112700031
2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218177
4-[[2-(diethylamino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54813755

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide (CID 54845673) is N-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide is CCC(NCC(=O)Nc1ccc(C(=O)NCCOC)cc1)c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide?
The InChIKey is UXTUHLAPNUYJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-19(16-7-5-4-6-8-16)23-15-20(25)24-18-11-9-17(10-12-18)21(26)22-13-14-27-2/h4-12,19,23H,3,13-15H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide?
N-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide has a molecular weight of 369.47 g/mol, XLogP of 2.74, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54845673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).