N-(2-morpholin-4-ylphenanthren-1-yl)prop-2-ynamide

C21H18N2O2 — CID 57258677

IUPACN-(2-morpholin-4-ylphenanthren-1-yl)prop-2-ynamide
SMILESC#CC(=O)Nc1c(N2CCOCC2)ccc2c1ccc1ccccc12
InChIInChI=1S/C21H18N2O2/c1-2-20(24)22-21-18-8-7-15-5-3-4-6-16(15)17(18)9-10-19(21)23-11-13-25-14-12-23/h1,3-10H,11-14H2,(H,22,24)
InChIKeyROLBEHOHRVHEIP-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.40
Rot. Bonds2

About N-(2-morpholin-4-ylphenanthren-1-yl)prop-2-ynamide

N-(2-morpholin-4-ylphenanthren-1-yl)prop-2-ynamide (PubChem CID 57258677) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenanthren-1-yl)prop-2-ynamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenanthren-1-yl)prop-2-ynamide
PubChem CID57258677
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-(2-morpholin-4-ylphenanthren-1-yl)prop-2-ynamide
SMILESC#CC(=O)Nc1c(N2CCOCC2)ccc2c1ccc1ccccc12
InChIInChI=1S/C21H18N2O2/c1-2-20(24)22-21-18-8-7-15-5-3-4-6-16(15)17(18)9-10-19(21)23-11-13-25-14-12-23/h1,3-10H,11-14H2,(H,22,24)
InChIKeyROLBEHOHRVHEIP-UHFFFAOYSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9461562
1-phenanthren-1-ylpyrrolidine
CID 138533599
4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride
CID 118526836
phenanthren-3-yl 2-morpholin-4-ylacetate
CID 150233502
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
CID 39923349
2-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 60622169
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478
(4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate
CID 87307439
N-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 122298854
2-morpholin-4-yl-N-naphthalen-1-ylpyridine-3-carboxamide
CID 34000334
N-(1-cyanonaphthalen-2-yl)morpholine-4-carboxamide
CID 12758540
1-[5-(1,1-difluoroethyl)-2-morpholin-4-ylphenyl]-3-naphthalen-1-ylpropan-2-one
CID 146707777

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenanthren-1-yl)prop-2-ynamide?
The IUPAC name of N-(2-morpholin-4-ylphenanthren-1-yl)prop-2-ynamide (CID 57258677) is N-(2-morpholin-4-ylphenanthren-1-yl)prop-2-ynamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenanthren-1-yl)prop-2-ynamide?
The canonical SMILES for N-(2-morpholin-4-ylphenanthren-1-yl)prop-2-ynamide is C#CC(=O)Nc1c(N2CCOCC2)ccc2c1ccc1ccccc12.
What is the InChIKey of N-(2-morpholin-4-ylphenanthren-1-yl)prop-2-ynamide?
The InChIKey is ROLBEHOHRVHEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-2-20(24)22-21-18-8-7-15-5-3-4-6-16(15)17(18)9-10-19(21)23-11-13-25-14-12-23/h1,3-10H,11-14H2,(H,22,24).
What are the key properties of N-(2-morpholin-4-ylphenanthren-1-yl)prop-2-ynamide?
N-(2-morpholin-4-ylphenanthren-1-yl)prop-2-ynamide has a molecular weight of 330.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenanthren-1-yl)prop-2-ynamide is sourced from PubChem (CID 57258677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).