N-(2-aminophenyl)-4-[[methyl-[2-[2-(propanoylamino)ethoxy]acetyl]amino]methyl]benzamide

C22H28N4O4 — CID 170619961

IUPACN-(2-aminophenyl)-4-[[methyl-[2-[2-(propanoylamino)ethoxy]acetyl]amino]methyl]benzamide
SMILESCCC(=O)NCCOCC(=O)N(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C22H28N4O4/c1-3-20(27)24-12-13-30-15-21(28)26(2)14-16-8-10-17(11-9-16)22(29)25-19-7-5-4-6-18(19)23/h4-11H,3,12-15,23H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyUVFRYIPVOAAEPB-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.02
Rot. Bonds10

About N-(2-aminophenyl)-4-[[methyl-[2-[2-(propanoylamino)ethoxy]acetyl]amino]methyl]benzamide

N-(2-aminophenyl)-4-[[methyl-[2-[2-(propanoylamino)ethoxy]acetyl]amino]methyl]benzamide (PubChem CID 170619961) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[methyl-[2-[2-(propanoylamino)ethoxy]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[methyl-[2-[2-(propanoylamino)ethoxy]acetyl]amino]methyl]benzamide
PubChem CID170619961
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-(2-aminophenyl)-4-[[methyl-[2-[2-(propanoylamino)ethoxy]acetyl]amino]methyl]benzamide
SMILESCCC(=O)NCCOCC(=O)N(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C22H28N4O4/c1-3-20(27)24-12-13-30-15-21(28)26(2)14-16-8-10-17(11-9-16)22(29)25-19-7-5-4-6-18(19)23/h4-11H,3,12-15,23H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyUVFRYIPVOAAEPB-UHFFFAOYSA-N
XLogP2.02
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 25051606
4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide
CID 11417056
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide
CID 90278399
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
N-(2-aminophenyl)-4-[[benzylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide
CID 58001196
N-[(4-ethylphenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103601799
1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 25052283
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(6-methyl-2-pyridinyl)carbamate
CID 68847526
2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 79463095

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[methyl-[2-[2-(propanoylamino)ethoxy]acetyl]amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[methyl-[2-[2-(propanoylamino)ethoxy]acetyl]amino]methyl]benzamide (CID 170619961) is N-(2-aminophenyl)-4-[[methyl-[2-[2-(propanoylamino)ethoxy]acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[methyl-[2-[2-(propanoylamino)ethoxy]acetyl]amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[methyl-[2-[2-(propanoylamino)ethoxy]acetyl]amino]methyl]benzamide is CCC(=O)NCCOCC(=O)N(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[methyl-[2-[2-(propanoylamino)ethoxy]acetyl]amino]methyl]benzamide?
The InChIKey is UVFRYIPVOAAEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-3-20(27)24-12-13-30-15-21(28)26(2)14-16-8-10-17(11-9-16)22(29)25-19-7-5-4-6-18(19)23/h4-11H,3,12-15,23H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of N-(2-aminophenyl)-4-[[methyl-[2-[2-(propanoylamino)ethoxy]acetyl]amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[methyl-[2-[2-(propanoylamino)ethoxy]acetyl]amino]methyl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 2.02, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[methyl-[2-[2-(propanoylamino)ethoxy]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 170619961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).