N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide

C21H20N2O3 — CID 122144724

IUPACN-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H20N2O3/c24-20(11-8-17-4-2-1-3-5-17)22-19-9-6-18(7-10-19)16-21(25)23-12-14-26-15-13-23/h1-7,9-10H,12-16H2,(H,22,24)
InChIKeyXTNNVJCBZICJLA-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.08
Rot. Bonds3

About N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide

N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide (PubChem CID 122144724) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide
PubChem CID122144724
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H20N2O3/c24-20(11-8-17-4-2-1-3-5-17)22-19-9-6-18(7-10-19)16-21(25)23-12-14-26-15-13-23/h1-7,9-10H,12-16H2,(H,22,24)
InChIKeyXTNNVJCBZICJLA-UHFFFAOYSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120549290
2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
CID 46455504
3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride
CID 120608729
1-morpholin-4-yl-2-(4-phenoxyphenyl)ethanone
CID 110768044
1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea
CID 43076552
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 119712469
1-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclohexane-1-carboxamide
CID 119283363
2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide
CID 39939581
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 120559975
N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 39938891
2-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 119712509

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide?
The IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide (CID 122144724) is N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide?
The canonical SMILES for N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide is O=C(C#Cc1ccccc1)Nc1ccc(CC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide?
The InChIKey is XTNNVJCBZICJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-20(11-8-17-4-2-1-3-5-17)22-19-9-6-18(7-10-19)16-21(25)23-12-14-26-15-13-23/h1-7,9-10H,12-16H2,(H,22,24).
What are the key properties of N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide?
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide has a molecular weight of 348.40 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide is sourced from PubChem (CID 122144724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).