N-[2-[[2-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-6-formylphenyl]methyl-methylamino]acetyl]propanamide

C26H33FN4O4 — CID 166797714

IUPACN-[2-[[2-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-6-formylphenyl]methyl-methylamino]acetyl]propanamide
SMILESCCC(=O)NC(=O)CN(C)Cc1c(C=O)cccc1NCc1cc(CN2CCOCC2)ccc1F
InChIInChI=1S/C26H33FN4O4/c1-3-25(33)29-26(34)17-30(2)16-22-20(18-32)5-4-6-24(22)28-14-21-13-19(7-8-23(21)27)15-31-9-11-35-12-10-31/h4-8,13,18,28H,3,9-12,14-17H2,1-2H3,(H,29,33,34)
InChIKeyOGSQRRFYQZZCEA-UHFFFAOYSA-N
MW484.57 g/mol
LogP2.57
Rot. Bonds11

About N-[2-[[2-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-6-formylphenyl]methyl-methylamino]acetyl]propanamide

N-[2-[[2-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-6-formylphenyl]methyl-methylamino]acetyl]propanamide (PubChem CID 166797714) has the molecular formula C26H33FN4O4 and a molecular weight of 484.57 g/mol. Its IUPAC name is N-[2-[[2-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-6-formylphenyl]methyl-methylamino]acetyl]propanamide.

Molecular Properties

Compound NameN-[2-[[2-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-6-formylphenyl]methyl-methylamino]acetyl]propanamide
PubChem CID166797714
Molecular FormulaC26H33FN4O4
Molecular Weight484.57 g/mol
Exact Mass484.25
IUPAC NameN-[2-[[2-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-6-formylphenyl]methyl-methylamino]acetyl]propanamide
SMILESCCC(=O)NC(=O)CN(C)Cc1c(C=O)cccc1NCc1cc(CN2CCOCC2)ccc1F
InChIInChI=1S/C26H33FN4O4/c1-3-25(33)29-26(34)17-30(2)16-22-20(18-32)5-4-6-24(22)28-14-21-13-19(7-8-23(21)27)15-31-9-11-35-12-10-31/h4-8,13,18,28H,3,9-12,14-17H2,1-2H3,(H,29,33,34)
InChIKeyOGSQRRFYQZZCEA-UHFFFAOYSA-N
XLogP2.57
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-[7-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]acetyl]-3-phenylpropanamide
CID 166797660
3-[[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-dihydroxymethyl]amino]-2-[[methyl-(4,4,5,5-tetrahydroxy-2,6-dioxopiperidin-3-yl)amino]methyl]benzaldehyde
CID 139421943
ethane;3-[7-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-1,1-dihydroxy-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 145070586
3-[7-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-1,1-dihydroxy-3-oxoisoindol-2-yl]-3-hydroxypiperidine-2,6-dione
CID 145070351
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26623732
2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride
CID 83271819
3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140817837
3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 140817465
1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111831570
(E)-3-(5-bromo-2-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 18289148
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 97224410

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-6-formylphenyl]methyl-methylamino]acetyl]propanamide?
The IUPAC name of N-[2-[[2-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-6-formylphenyl]methyl-methylamino]acetyl]propanamide (CID 166797714) is N-[2-[[2-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-6-formylphenyl]methyl-methylamino]acetyl]propanamide.
What is the SMILES notation for N-[2-[[2-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-6-formylphenyl]methyl-methylamino]acetyl]propanamide?
The canonical SMILES for N-[2-[[2-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-6-formylphenyl]methyl-methylamino]acetyl]propanamide is CCC(=O)NC(=O)CN(C)Cc1c(C=O)cccc1NCc1cc(CN2CCOCC2)ccc1F.
What is the InChIKey of N-[2-[[2-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-6-formylphenyl]methyl-methylamino]acetyl]propanamide?
The InChIKey is OGSQRRFYQZZCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O4/c1-3-25(33)29-26(34)17-30(2)16-22-20(18-32)5-4-6-24(22)28-14-21-13-19(7-8-23(21)27)15-31-9-11-35-12-10-31/h4-8,13,18,28H,3,9-12,14-17H2,1-2H3,(H,29,33,34).
What are the key properties of N-[2-[[2-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-6-formylphenyl]methyl-methylamino]acetyl]propanamide?
N-[2-[[2-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-6-formylphenyl]methyl-methylamino]acetyl]propanamide has a molecular weight of 484.57 g/mol, XLogP of 2.57, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-6-formylphenyl]methyl-methylamino]acetyl]propanamide is sourced from PubChem (CID 166797714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).