N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide

C22H29N3O3 — CID 120604154

IUPACN-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide
SMILESCC(Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C22H29N3O3/c1-15(28-17-9-7-8-16(14-17)22(2,3)4)20(26)25-19-11-6-5-10-18(19)21(27)24-13-12-23/h5-11,14-15H,12-13,23H2,1-4H3,(H,24,27)(H,25,26)
InChIKeySLLVQZNLFVMDDW-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.08
Rot. Bonds7

About N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide

N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide (PubChem CID 120604154) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide
PubChem CID120604154
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide
SMILESCC(Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C22H29N3O3/c1-15(28-17-9-7-8-16(14-17)22(2,3)4)20(26)25-19-11-6-5-10-18(19)21(27)24-13-12-23/h5-11,14-15H,12-13,23H2,1-4H3,(H,24,27)(H,25,26)
InChIKeySLLVQZNLFVMDDW-UHFFFAOYSA-N
XLogP3.08
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-2-[2-(4-tert-butylphenoxy)propanoylamino]benzamide;hydrochloride
CID 120604424
N-(2-aminoethyl)-2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 120603874
2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide
CID 42906301
2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 43908435
2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967
N-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide
CID 120604319
N'-[2-(3-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 55789103
2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92685505
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide
CID 4939976
2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 26076449
N-(2-methoxyethyl)-2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 9173265

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide (CID 120604154) is N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide is CC(Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccccc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide?
The InChIKey is SLLVQZNLFVMDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(28-17-9-7-8-16(14-17)22(2,3)4)20(26)25-19-11-6-5-10-18(19)21(27)24-13-12-23/h5-11,14-15H,12-13,23H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide?
N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide has a molecular weight of 383.49 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 120604154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).