N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxo-2-(2-phenylcyclopropyl)acetamide

C27H28N2O4 — CID 67091404

IUPACN-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxo-2-(2-phenylcyclopropyl)acetamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C27H28N2O4/c30-26(23-18-22(23)19-6-2-1-3-7-19)27(31)28-24-10-11-25(21-9-5-4-8-20(21)24)33-17-14-29-12-15-32-16-13-29/h1-11,22-23H,12-18H2,(H,28,31)
InChIKeySBDSSRAZLALWLQ-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.86
Rot. Bonds8

About N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxo-2-(2-phenylcyclopropyl)acetamide

N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxo-2-(2-phenylcyclopropyl)acetamide (PubChem CID 67091404) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxo-2-(2-phenylcyclopropyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxo-2-(2-phenylcyclopropyl)acetamide
PubChem CID67091404
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC NameN-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxo-2-(2-phenylcyclopropyl)acetamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C27H28N2O4/c30-26(23-18-22(23)19-6-2-1-3-7-19)27(31)28-24-10-11-25(21-9-5-4-8-20(21)24)33-17-14-29-12-15-32-16-13-29/h1-11,22-23H,12-18H2,(H,28,31)
InChIKeySBDSSRAZLALWLQ-UHFFFAOYSA-N
XLogP3.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
4-(dimethylamino)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553215
4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553360
2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44588777
1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 11409584
2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
CID 59553184
3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 143171289
N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide
CID 59553162
2-(5-tert-butyl-2-methoxy-3-nitrophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 57418855
4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553258
3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553438
methyl 5-tert-butyl-1-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrrole-2-carboxylate
CID 18406693

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxo-2-(2-phenylcyclopropyl)acetamide?
The IUPAC name of N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxo-2-(2-phenylcyclopropyl)acetamide (CID 67091404) is N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxo-2-(2-phenylcyclopropyl)acetamide.
What is the SMILES notation for N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxo-2-(2-phenylcyclopropyl)acetamide?
The canonical SMILES for N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxo-2-(2-phenylcyclopropyl)acetamide is O=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(=O)C1CC1c1ccccc1.
What is the InChIKey of N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxo-2-(2-phenylcyclopropyl)acetamide?
The InChIKey is SBDSSRAZLALWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c30-26(23-18-22(23)19-6-2-1-3-7-19)27(31)28-24-10-11-25(21-9-5-4-8-20(21)24)33-17-14-29-12-15-32-16-13-29/h1-11,22-23H,12-18H2,(H,28,31).
What are the key properties of N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxo-2-(2-phenylcyclopropyl)acetamide?
N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxo-2-(2-phenylcyclopropyl)acetamide has a molecular weight of 444.53 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxo-2-(2-phenylcyclopropyl)acetamide is sourced from PubChem (CID 67091404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).