(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide

C20H28N4O2 — CID 119750560

IUPAC(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCCN(CC1CCCO1)C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1
InChIInChI=1S/C20H28N4O2/c1-2-24(14-18-9-6-10-26-18)20(25)19(21)11-17-13-23(15-22-17)12-16-7-4-3-5-8-16/h3-5,7-8,13,15,18-19H,2,6,9-12,14,21H2,1H3/t18?,19-/m0/s1
InChIKeyFZIMHDVPNFUABY-GGYWPGCISA-N
MW356.47 g/mol
LogP1.83
Rot. Bonds8

About (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide

(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 119750560) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide
PubChem CID119750560
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCCN(CC1CCCO1)C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1
InChIInChI=1S/C20H28N4O2/c1-2-24(14-18-9-6-10-26-18)20(25)19(21)11-17-13-23(15-22-17)12-16-7-4-3-5-8-16/h3-5,7-8,13,15,18-19H,2,6,9-12,14,21H2,1H3/t18?,19-/m0/s1
InChIKeyFZIMHDVPNFUABY-GGYWPGCISA-N
XLogP1.83
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(2-phenylethyl)propanamide
CID 119736341
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
CID 104984220
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-methyl-N-(oxolan-3-ylmethyl)propanamide;dihydrochloride
CID 119814556
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]propanamide;dihydrochloride
CID 119728584
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N,N-bis(prop-2-enyl)propanamide
CID 120607749
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one;dihydrochloride
CID 119793048
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61435349
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 119729874
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;dihydrochloride
CID 119806055
3-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119750532
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one
CID 119732802
(1S)-2-(1-benzylimidazol-4-yl)-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 120893798

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide (CID 119750560) is (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide is CCN(CC1CCCO1)C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1.
What is the InChIKey of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is FZIMHDVPNFUABY-GGYWPGCISA-N. The full InChI is InChI=1S/C20H28N4O2/c1-2-24(14-18-9-6-10-26-18)20(25)19(21)11-17-13-23(15-22-17)12-16-7-4-3-5-8-16/h3-5,7-8,13,15,18-19H,2,6,9-12,14,21H2,1H3/t18?,19-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide?
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 356.47 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 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-ethyl-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 119750560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).