(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide

C23H28N4O2 — CID 119753971

IUPAC(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
SMILESCC(C)OCc1cccc(NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c1
InChIInChI=1S/C23H28N4O2/c1-17(2)29-15-19-9-6-10-20(11-19)26-23(28)22(24)12-21-14-27(16-25-21)13-18-7-4-3-5-8-18/h3-11,14,16-17,22H,12-13,15,24H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyGOFPDEPTEJVZDX-QFIPXVFZSA-N
MW392.50 g/mol
LogP3.36
Rot. Bonds9

About (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide

(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide (PubChem CID 119753971) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
PubChem CID119753971
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
SMILESCC(C)OCc1cccc(NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c1
InChIInChI=1S/C23H28N4O2/c1-17(2)29-15-19-9-6-10-20(11-19)26-23(28)22(24)12-21-14-27(16-25-21)13-18-7-4-3-5-8-18/h3-11,14,16-17,22H,12-13,15,24H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyGOFPDEPTEJVZDX-QFIPXVFZSA-N
XLogP3.36
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(3-butoxyphenyl)propanamide
CID 119745766
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(3-ethoxy-4-methoxyphenyl)propanamide
CID 119717688
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(4-tert-butylphenyl)propanamide;dihydrochloride
CID 119671563
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 119718248
2-[[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]amino]-2-methylpropanoic acid
CID 178096968
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]amino]ethylamino]ethyl]-3-(1-benzylimidazol-4-yl)propanamide
CID 11827812
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 120987551
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 119718202
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(3-phenoxypropyl)propanamide
CID 119694927
2-amino-2-phenyl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119306292
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 119703884

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide (CID 119753971) is (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide is CC(C)OCc1cccc(NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c1.
What is the InChIKey of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide?
The InChIKey is GOFPDEPTEJVZDX-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17(2)29-15-19-9-6-10-20(11-19)26-23(28)22(24)12-21-14-27(16-25-21)13-18-7-4-3-5-8-18/h3-11,14,16-17,22H,12-13,15,24H2,1-2H3,(H,26,28)/t22-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide?
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide has a molecular weight of 392.50 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide is sourced from PubChem (CID 119753971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).