3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide

C28H32N4O4 — CID 55946576

IUPAC3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
SMILESO=C(CNC(=O)Cc1cccc2ccccc12)NCc1cccc(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C28H32N4O4/c33-26(11-12-32-13-15-36-16-14-32)31-24-9-3-5-21(17-24)19-29-28(35)20-30-27(34)18-23-8-4-7-22-6-1-2-10-25(22)23/h1-10,17H,11-16,18-20H2,(H,29,35)(H,30,34)(H,31,33)
InChIKeyPFFDGSCUMIHBLV-UHFFFAOYSA-N
MW488.59 g/mol
LogP2.48
Rot. Bonds10

About 3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide

3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide (PubChem CID 55946576) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
PubChem CID55946576
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Name3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
SMILESO=C(CNC(=O)Cc1cccc2ccccc12)NCc1cccc(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C28H32N4O4/c33-26(11-12-32-13-15-36-16-14-32)31-24-9-3-5-21(17-24)19-29-28(35)20-30-27(34)18-23-8-4-7-22-6-1-2-10-25(22)23/h1-10,17H,11-16,18-20H2,(H,29,35)(H,30,34)(H,31,33)
InChIKeyPFFDGSCUMIHBLV-UHFFFAOYSA-N
XLogP2.48
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide
CID 55991087
N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55887472
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide
CID 86937453
N-[3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55886714
1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849215
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide
CID 119849198
3-methylsulfonyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55887600
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111136263
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55889391
N-[3-[[[N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide;hydroiodide
CID 109430290
N-[(3-hydroxyphenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483703

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide?
The IUPAC name of 3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide (CID 55946576) is 3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide?
The canonical SMILES for 3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide is O=C(CNC(=O)Cc1cccc2ccccc12)NCc1cccc(NC(=O)CCN2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide?
The InChIKey is PFFDGSCUMIHBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c33-26(11-12-32-13-15-36-16-14-32)31-24-9-3-5-21(17-24)19-29-28(35)20-30-27(34)18-23-8-4-7-22-6-1-2-10-25(22)23/h1-10,17H,11-16,18-20H2,(H,29,35)(H,30,34)(H,31,33).
What are the key properties of 3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide?
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide has a molecular weight of 488.59 g/mol, XLogP of 2.48, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide is sourced from PubChem (CID 55946576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).