(3S)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide

C19H25FN4O2 — CID 8004387

IUPAC(3S)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide
SMILESC[C@@H](CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)n1ccnc1
InChIInChI=1S/C19H25FN4O2/c1-15(24-7-6-21-14-24)12-19(25)22-13-18(23-8-10-26-11-9-23)16-2-4-17(20)5-3-16/h2-7,14-15,18H,8-13H2,1H3,(H,22,25)/t15-,18+/m0/s1
InChIKeyVGJXJRNHYVLETH-MAUKXSAKSA-N
MW360.43 g/mol
LogP2.16
Rot. Bonds7

About (3S)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide

(3S)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide (PubChem CID 8004387) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is (3S)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide
PubChem CID8004387
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name(3S)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide
SMILESC[C@@H](CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)n1ccnc1
InChIInChI=1S/C19H25FN4O2/c1-15(24-7-6-21-14-24)12-19(25)22-13-18(23-8-10-26-11-9-23)16-2-4-17(20)5-3-16/h2-7,14-15,18H,8-13H2,1H3,(H,22,25)/t15-,18+/m0/s1
InChIKeyVGJXJRNHYVLETH-MAUKXSAKSA-N
XLogP2.16
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide
CID 86929388
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide
CID 119829974
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-fluorophenyl)butanamide
CID 55924740
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 30834808
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51175139
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide
CID 110304177
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 7496721

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide?
The IUPAC name of (3S)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide (CID 8004387) is (3S)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide.
What is the SMILES notation for (3S)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide?
The canonical SMILES for (3S)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide is C[C@@H](CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)n1ccnc1.
What is the InChIKey of (3S)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide?
The InChIKey is VGJXJRNHYVLETH-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-15(24-7-6-21-14-24)12-19(25)22-13-18(23-8-10-26-11-9-23)16-2-4-17(20)5-3-16/h2-7,14-15,18H,8-13H2,1H3,(H,22,25)/t15-,18+/m0/s1.
What are the key properties of (3S)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide?
(3S)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide has a molecular weight of 360.43 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide is sourced from PubChem (CID 8004387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).