N-[3-(2-ethylphenoxy)propyl]-N,2,4-trimethylpyrimidine-5-carboxamide

C19H25N3O2 — CID 46991835

IUPACN-[3-(2-ethylphenoxy)propyl]-N,2,4-trimethylpyrimidine-5-carboxamide
SMILESCCc1ccccc1OCCCN(C)C(=O)c1cnc(C)nc1C
InChIInChI=1S/C19H25N3O2/c1-5-16-9-6-7-10-18(16)24-12-8-11-22(4)19(23)17-13-20-15(3)21-14(17)2/h6-7,9-10,13H,5,8,11-12H2,1-4H3
InChIKeyXVCHHWNXZKRICN-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.20
Rot. Bonds7

About N-[3-(2-ethylphenoxy)propyl]-N,2,4-trimethylpyrimidine-5-carboxamide

N-[3-(2-ethylphenoxy)propyl]-N,2,4-trimethylpyrimidine-5-carboxamide (PubChem CID 46991835) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[3-(2-ethylphenoxy)propyl]-N,2,4-trimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylphenoxy)propyl]-N,2,4-trimethylpyrimidine-5-carboxamide
PubChem CID46991835
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[3-(2-ethylphenoxy)propyl]-N,2,4-trimethylpyrimidine-5-carboxamide
SMILESCCc1ccccc1OCCCN(C)C(=O)c1cnc(C)nc1C
InChIInChI=1S/C19H25N3O2/c1-5-16-9-6-7-10-18(16)24-12-8-11-22(4)19(23)17-13-20-15(3)21-14(17)2/h6-7,9-10,13H,5,8,11-12H2,1-4H3
InChIKeyXVCHHWNXZKRICN-UHFFFAOYSA-N
XLogP3.20
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-3-(2-ethylphenoxy)-N-methylpropanamide
CID 43254471
6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide
CID 142014071
N,2,4-trimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 110852637
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119944826
N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylpyrimidine-5-carboxamide
CID 97280831
4-(2-ethylphenoxy)butanamide
CID 82040636
5-ethyl-N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrimidin-4-amine
CID 134706347
N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 74240716
5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide
CID 55897554
5-(2-ethylphenoxy)pentanoic acid
CID 43351498
N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide
CID 113265814
3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea
CID 86850576

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylphenoxy)propyl]-N,2,4-trimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-(2-ethylphenoxy)propyl]-N,2,4-trimethylpyrimidine-5-carboxamide (CID 46991835) is N-[3-(2-ethylphenoxy)propyl]-N,2,4-trimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(2-ethylphenoxy)propyl]-N,2,4-trimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(2-ethylphenoxy)propyl]-N,2,4-trimethylpyrimidine-5-carboxamide is CCc1ccccc1OCCCN(C)C(=O)c1cnc(C)nc1C.
What is the InChIKey of N-[3-(2-ethylphenoxy)propyl]-N,2,4-trimethylpyrimidine-5-carboxamide?
The InChIKey is XVCHHWNXZKRICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-5-16-9-6-7-10-18(16)24-12-8-11-22(4)19(23)17-13-20-15(3)21-14(17)2/h6-7,9-10,13H,5,8,11-12H2,1-4H3.
What are the key properties of N-[3-(2-ethylphenoxy)propyl]-N,2,4-trimethylpyrimidine-5-carboxamide?
N-[3-(2-ethylphenoxy)propyl]-N,2,4-trimethylpyrimidine-5-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylphenoxy)propyl]-N,2,4-trimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 46991835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).