N-[1-[4-[2-(6-ethoxypyrimidin-4-yl)ethynyl]phenyl]ethyl]acetamide

C18H19N3O2 — CID 66634854

IUPACN-[1-[4-[2-(6-ethoxypyrimidin-4-yl)ethynyl]phenyl]ethyl]acetamide
SMILESCCOc1cc(C#Cc2ccc(C(C)NC(C)=O)cc2)ncn1
InChIInChI=1S/C18H19N3O2/c1-4-23-18-11-17(19-12-20-18)10-7-15-5-8-16(9-6-15)13(2)21-14(3)22/h5-6,8-9,11-13H,4H2,1-3H3,(H,21,22)
InChIKeyGZOUDEAOCJYELO-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.47
Rot. Bonds4

About N-[1-[4-[2-(6-ethoxypyrimidin-4-yl)ethynyl]phenyl]ethyl]acetamide

N-[1-[4-[2-(6-ethoxypyrimidin-4-yl)ethynyl]phenyl]ethyl]acetamide (PubChem CID 66634854) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[1-[4-[2-(6-ethoxypyrimidin-4-yl)ethynyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2-(6-ethoxypyrimidin-4-yl)ethynyl]phenyl]ethyl]acetamide
PubChem CID66634854
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[1-[4-[2-(6-ethoxypyrimidin-4-yl)ethynyl]phenyl]ethyl]acetamide
SMILESCCOc1cc(C#Cc2ccc(C(C)NC(C)=O)cc2)ncn1
InChIInChI=1S/C18H19N3O2/c1-4-23-18-11-17(19-12-20-18)10-7-15-5-8-16(9-6-15)13(2)21-14(3)22/h5-6,8-9,11-13H,4H2,1-3H3,(H,21,22)
InChIKeyGZOUDEAOCJYELO-UHFFFAOYSA-N
XLogP2.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123494234
N-[(1S)-1-[4-[2-[2-(cyclopropylmethyl)pyrimidin-5-yl]ethynyl]phenyl]ethyl]acetamide
CID 162016935
N-[(1S)-1-(4-triethoxysilylphenyl)ethyl]acetamide
CID 177442373
N-[1-[4-(2-ethoxy-3-pyridinyl)phenyl]ethyl]acetamide
CID 56706704
1-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]ethyl]-3-pyridin-3-ylurea
CID 56924989
N-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide
CID 66634983
N-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide
CID 66634867
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 43713696
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide
CID 95157068
3-[1-[4-[2-(2-ethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]-1,1-dimethylurea
CID 66635532
N-[1-[6-(3-ethoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68759728
N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 878875

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(6-ethoxypyrimidin-4-yl)ethynyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[2-(6-ethoxypyrimidin-4-yl)ethynyl]phenyl]ethyl]acetamide (CID 66634854) is N-[1-[4-[2-(6-ethoxypyrimidin-4-yl)ethynyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[2-(6-ethoxypyrimidin-4-yl)ethynyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[2-(6-ethoxypyrimidin-4-yl)ethynyl]phenyl]ethyl]acetamide is CCOc1cc(C#Cc2ccc(C(C)NC(C)=O)cc2)ncn1.
What is the InChIKey of N-[1-[4-[2-(6-ethoxypyrimidin-4-yl)ethynyl]phenyl]ethyl]acetamide?
The InChIKey is GZOUDEAOCJYELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-23-18-11-17(19-12-20-18)10-7-15-5-8-16(9-6-15)13(2)21-14(3)22/h5-6,8-9,11-13H,4H2,1-3H3,(H,21,22).
What are the key properties of N-[1-[4-[2-(6-ethoxypyrimidin-4-yl)ethynyl]phenyl]ethyl]acetamide?
N-[1-[4-[2-(6-ethoxypyrimidin-4-yl)ethynyl]phenyl]ethyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(6-ethoxypyrimidin-4-yl)ethynyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 66634854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).