(2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide

C23H30FN3O3 — CID 9349342

IUPAC(2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCCN(Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H30FN3O3/c1-4-26(16-18-5-10-22(29-3)21(24)15-18)17(2)23(28)25-19-6-8-20(9-7-19)27-11-13-30-14-12-27/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,25,28)/t17-/m0/s1
InChIKeyZGXOTGPBWVORBY-KRWDZBQOSA-N
MW415.51 g/mol
LogP3.52
Rot. Bonds8

About (2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide

(2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 9349342) has the molecular formula C23H30FN3O3 and a molecular weight of 415.51 g/mol. Its IUPAC name is (2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID9349342
Molecular FormulaC23H30FN3O3
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC Name(2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCCN(Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H30FN3O3/c1-4-26(16-18-5-10-22(29-3)21(24)15-18)17(2)23(28)25-19-6-8-20(9-7-19)27-11-13-30-14-12-27/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,25,28)/t17-/m0/s1
InChIKeyZGXOTGPBWVORBY-KRWDZBQOSA-N
XLogP3.52
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-4-methoxyphenyl)methyl-methyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium
CID 9432269
(2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide
CID 8912011
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
CID 18191621
N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351529
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 7261645
2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 43821479
2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide
CID 110359745
(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7990427
N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351428
ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
CID 42897624
(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
CID 58441866
1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86830758

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide (CID 9349342) is (2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide is CCN(Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is ZGXOTGPBWVORBY-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H30FN3O3/c1-4-26(16-18-5-10-22(29-3)21(24)15-18)17(2)23(28)25-19-6-8-20(9-7-19)27-11-13-30-14-12-27/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,25,28)/t17-/m0/s1.
What are the key properties of (2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
(2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 415.51 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 9349342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).