(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide

C19H29FN4O3 — CID 119849290

IUPAC(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C19H29FN4O3/c1-13(2)11-16(21)19(26)22-14-3-4-15(20)17(12-14)23-18(25)5-6-24-7-9-27-10-8-24/h3-4,12-13,16H,5-11,21H2,1-2H3,(H,22,26)(H,23,25)/t16-/m0/s1
InChIKeyJOVFMKFTPTYSEW-INIZCTEOSA-N
MW380.46 g/mol
LogP1.80
Rot. Bonds8

About (2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide

(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide (PubChem CID 119849290) has the molecular formula C19H29FN4O3 and a molecular weight of 380.46 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide
PubChem CID119849290
Molecular FormulaC19H29FN4O3
Molecular Weight380.46 g/mol
Exact Mass380.22
IUPAC Name(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C19H29FN4O3/c1-13(2)11-16(21)19(26)22-14-3-4-15(20)17(12-14)23-18(25)5-6-24-7-9-27-10-8-24/h3-4,12-13,16H,5-11,21H2,1-2H3,(H,22,26)(H,23,25)/t16-/m0/s1
InChIKeyJOVFMKFTPTYSEW-INIZCTEOSA-N
XLogP1.80
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119849257
3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
CID 119849282
2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide
CID 60530456
4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55784620
N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide
CID 55785751
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
CID 55964556
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 60554946
5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide
CID 55784871
(2S)-2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-methylpentanamide;hydrochloride
CID 119702982
1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 60554945

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide (CID 119849290) is (2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1.
What is the InChIKey of (2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide?
The InChIKey is JOVFMKFTPTYSEW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29FN4O3/c1-13(2)11-16(21)19(26)22-14-3-4-15(20)17(12-14)23-18(25)5-6-24-7-9-27-10-8-24/h3-4,12-13,16H,5-11,21H2,1-2H3,(H,22,26)(H,23,25)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide?
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide has a molecular weight of 380.46 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide is sourced from PubChem (CID 119849290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).