(2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide

C23H28N4O2 — CID 124721834

IUPAC(2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide
SMILESCC[C@@H](C(=O)Nc1ccccc1OCCn1ccnc1)N(C)Cc1ccccc1
InChIInChI=1S/C23H28N4O2/c1-3-21(26(2)17-19-9-5-4-6-10-19)23(28)25-20-11-7-8-12-22(20)29-16-15-27-14-13-24-18-27/h4-14,18,21H,3,15-17H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyAIQWEHNYYOMQIG-NRFANRHFSA-N
MW392.50 g/mol
LogP3.81
Rot. Bonds10

About (2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide

(2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide (PubChem CID 124721834) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide
PubChem CID124721834
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide
SMILESCC[C@@H](C(=O)Nc1ccccc1OCCn1ccnc1)N(C)Cc1ccccc1
InChIInChI=1S/C23H28N4O2/c1-3-21(26(2)17-19-9-5-4-6-10-19)23(28)25-20-11-7-8-12-22(20)29-16-15-27-14-13-24-18-27/h4-14,18,21H,3,15-17H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyAIQWEHNYYOMQIG-NRFANRHFSA-N
XLogP3.81
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide 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

3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503297
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 56540324
1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea
CID 99833540
N-[2-(2-imidazol-1-ylethoxy)phenyl]-4-phenylbenzamide
CID 47789751
N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 47789441
2-(cyclopropylmethylamino)-N-[2-(2-imidazol-1-ylethoxy)phenyl]acetamide;dihydrochloride
CID 119862195
1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-[1-(methoxymethyl)cyclobutyl]urea
CID 131961558
(E)-3-(4-fluorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
CID 47789776
3-(2-bromophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 60586152
3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 47789737
5-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75613738
N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide
CID 119862178

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide?
The IUPAC name of (2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide (CID 124721834) is (2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide.
What is the SMILES notation for (2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide?
The canonical SMILES for (2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide is CC[C@@H](C(=O)Nc1ccccc1OCCn1ccnc1)N(C)Cc1ccccc1.
What is the InChIKey of (2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide?
The InChIKey is AIQWEHNYYOMQIG-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-3-21(26(2)17-19-9-5-4-6-10-19)23(28)25-20-11-7-8-12-22(20)29-16-15-27-14-13-24-18-27/h4-14,18,21H,3,15-17H2,1-2H3,(H,25,28)/t21-/m0/s1.
What are the key properties of (2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide?
(2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide has a molecular weight of 392.50 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl(methyl)amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]butanamide is sourced from PubChem (CID 124721834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).