ethane;N-(4-ethylphenyl)-2-methylbenzamide;formaldehyde;4-methoxy-6-methylpyrimidine

C26H35N3O4 — CID 143832310

IUPACethane;N-(4-ethylphenyl)-2-methylbenzamide;formaldehyde;4-methoxy-6-methylpyrimidine
SMILESC=O.C=O.CC.CCc1ccc(NC(=O)c2ccccc2C)cc1.COc1cc(C)ncn1
InChIInChI=1S/C16H17NO.C6H8N2O.C2H6.2CH2O/c1-3-13-8-10-14(11-9-13)17-16(18)15-7-5-4-6-12(15)2;1-5-3-6(9-2)8-4-7-5;3*1-2/h4-11H,3H2,1-2H3,(H,17,18);3-4H,1-2H3;1-2H3;2*1H2
InChIKeyKUNTWJLIPJXSST-UHFFFAOYSA-N
MW453.58 g/mol
LogP5.26
Rot. Bonds4

About ethane;N-(4-ethylphenyl)-2-methylbenzamide;formaldehyde;4-methoxy-6-methylpyrimidine

ethane;N-(4-ethylphenyl)-2-methylbenzamide;formaldehyde;4-methoxy-6-methylpyrimidine (PubChem CID 143832310) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is ethane;N-(4-ethylphenyl)-2-methylbenzamide;formaldehyde;4-methoxy-6-methylpyrimidine.

Molecular Properties

Compound Nameethane;N-(4-ethylphenyl)-2-methylbenzamide;formaldehyde;4-methoxy-6-methylpyrimidine
PubChem CID143832310
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC Nameethane;N-(4-ethylphenyl)-2-methylbenzamide;formaldehyde;4-methoxy-6-methylpyrimidine
SMILESC=O.C=O.CC.CCc1ccc(NC(=O)c2ccccc2C)cc1.COc1cc(C)ncn1
InChIInChI=1S/C16H17NO.C6H8N2O.C2H6.2CH2O/c1-3-13-8-10-14(11-9-13)17-16(18)15-7-5-4-6-12(15)2;1-5-3-6(9-2)8-4-7-5;3*1-2/h4-11H,3H2,1-2H3,(H,17,18);3-4H,1-2H3;1-2H3;2*1H2
InChIKeyKUNTWJLIPJXSST-UHFFFAOYSA-N
XLogP5.26
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.58
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 28638140
ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 17251680
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
N-(4-ethylphenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256559
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
CID 28754496
N-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893
2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311091
N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115093
N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113017463
N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide
CID 112980901

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-ethylphenyl)-2-methylbenzamide;formaldehyde;4-methoxy-6-methylpyrimidine?
The IUPAC name of ethane;N-(4-ethylphenyl)-2-methylbenzamide;formaldehyde;4-methoxy-6-methylpyrimidine (CID 143832310) is ethane;N-(4-ethylphenyl)-2-methylbenzamide;formaldehyde;4-methoxy-6-methylpyrimidine.
What is the SMILES notation for ethane;N-(4-ethylphenyl)-2-methylbenzamide;formaldehyde;4-methoxy-6-methylpyrimidine?
The canonical SMILES for ethane;N-(4-ethylphenyl)-2-methylbenzamide;formaldehyde;4-methoxy-6-methylpyrimidine is C=O.C=O.CC.CCc1ccc(NC(=O)c2ccccc2C)cc1.COc1cc(C)ncn1.
What is the InChIKey of ethane;N-(4-ethylphenyl)-2-methylbenzamide;formaldehyde;4-methoxy-6-methylpyrimidine?
The InChIKey is KUNTWJLIPJXSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.C6H8N2O.C2H6.2CH2O/c1-3-13-8-10-14(11-9-13)17-16(18)15-7-5-4-6-12(15)2;1-5-3-6(9-2)8-4-7-5;3*1-2/h4-11H,3H2,1-2H3,(H,17,18);3-4H,1-2H3;1-2H3;2*1H2.
What are the key properties of ethane;N-(4-ethylphenyl)-2-methylbenzamide;formaldehyde;4-methoxy-6-methylpyrimidine?
ethane;N-(4-ethylphenyl)-2-methylbenzamide;formaldehyde;4-methoxy-6-methylpyrimidine has a molecular weight of 453.58 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-ethylphenyl)-2-methylbenzamide;formaldehyde;4-methoxy-6-methylpyrimidine is sourced from PubChem (CID 143832310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).