N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide

C19H26N4O2 — CID 119039953

IUPACN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide
SMILESCCN(CC)C(CNC(=O)Cc1cncnc1)c1cccc(OC)c1
InChIInChI=1S/C19H26N4O2/c1-4-23(5-2)18(16-7-6-8-17(10-16)25-3)13-22-19(24)9-15-11-20-14-21-12-15/h6-8,10-12,14,18H,4-5,9,13H2,1-3H3,(H,22,24)
InChIKeyWBIIHEYBFJNLGW-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.23
Rot. Bonds9

About N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide (PubChem CID 119039953) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide
PubChem CID119039953
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide
SMILESCCN(CC)C(CNC(=O)Cc1cncnc1)c1cccc(OC)c1
InChIInChI=1S/C19H26N4O2/c1-4-23(5-2)18(16-7-6-8-17(10-16)25-3)13-22-19(24)9-15-11-20-14-21-12-15/h6-8,10-12,14,18H,4-5,9,13H2,1-3H3,(H,22,24)
InChIKeyWBIIHEYBFJNLGW-UHFFFAOYSA-N
XLogP2.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 24646521
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55470741
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56538689
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 134032752
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 134032750
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 43045627
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 43054752
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 119837714
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 46545764

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide?
The IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide (CID 119039953) is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide?
The canonical SMILES for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide is CCN(CC)C(CNC(=O)Cc1cncnc1)c1cccc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide?
The InChIKey is WBIIHEYBFJNLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-23(5-2)18(16-7-6-8-17(10-16)25-3)13-22-19(24)9-15-11-20-14-21-12-15/h6-8,10-12,14,18H,4-5,9,13H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide?
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide has a molecular weight of 342.44 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide is sourced from PubChem (CID 119039953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).