N-[4-[2-(4-ethoxy-3-ethylphenyl)pyrimidin-4-yl]butanimidoyl]-N-ethylpropanamide

C23H32N4O2 — CID 171563085

IUPACN-[4-[2-(4-ethoxy-3-ethylphenyl)pyrimidin-4-yl]butanimidoyl]-N-ethylpropanamide
SMILES[H]/N=C(/CCCc1ccnc(-c2ccc(OCC)c(CC)c2)n1)N(CC)C(=O)CC
InChIInChI=1S/C23H32N4O2/c1-5-17-16-18(12-13-20(17)29-8-4)23-25-15-14-19(26-23)10-9-11-21(24)27(7-3)22(28)6-2/h12-16,24H,5-11H2,1-4H3/b24-21-
InChIKeyAATXYCZTYUMNHG-FLFQWRMESA-N
MW396.54 g/mol
LogP4.66
Rot. Bonds10

About N-[4-[2-(4-ethoxy-3-ethylphenyl)pyrimidin-4-yl]butanimidoyl]-N-ethylpropanamide

N-[4-[2-(4-ethoxy-3-ethylphenyl)pyrimidin-4-yl]butanimidoyl]-N-ethylpropanamide (PubChem CID 171563085) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[4-[2-(4-ethoxy-3-ethylphenyl)pyrimidin-4-yl]butanimidoyl]-N-ethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(4-ethoxy-3-ethylphenyl)pyrimidin-4-yl]butanimidoyl]-N-ethylpropanamide
PubChem CID171563085
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[4-[2-(4-ethoxy-3-ethylphenyl)pyrimidin-4-yl]butanimidoyl]-N-ethylpropanamide
SMILES[H]/N=C(/CCCc1ccnc(-c2ccc(OCC)c(CC)c2)n1)N(CC)C(=O)CC
InChIInChI=1S/C23H32N4O2/c1-5-17-16-18(12-13-20(17)29-8-4)23-25-15-14-19(26-23)10-9-11-21(24)27(7-3)22(28)6-2/h12-16,24H,5-11H2,1-4H3/b24-21-
InChIKeyAATXYCZTYUMNHG-FLFQWRMESA-N
XLogP4.66
TPSA79.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[4-[2-(4-ethoxy-3-ethylphenyl)pyrimidin-4-yl]butanimidoyl]-N-ethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-ethoxy-5-[3-[5-[ethyl(propanoyl)amino]-2-fluoro-5-iminopentan-2-yl]phenyl]phenyl]acetic acid
CID 171563111
1-[(4-tert-butylphenyl)methyl]-3-[4-[2-[3-(cyanomethyl)-4-ethoxyphenyl]pyrimidin-4-yl]butanoylamino]-1-ethylurea
CID 90238365
2-[5-[4-[3-[4-[3-(4-tert-butylphenyl)propyl]-1-ethyl-6-oxo-4,5-dihydropyrimidin-2-yl]propyl]pyrimidin-2-yl]-2-ethoxyphenyl]acetic acid
CID 171563103
2-[2-butoxy-5-[4-[4-[(4-tert-butylphenyl)methylcarbamoyl-ethylamino]-4-iminobutyl]phenyl]phenyl]acetic acid
CID 129090714
2-[5-[4-[3-[1-[(4-tert-butylphenyl)methyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]propyl]pyrimidin-2-yl]-2-ethoxyphenyl]acetonitrile
CID 90241864
1-(4-ethoxy-3-ethylphenyl)propan-1-one
CID 82054209
3-bromo-1-(4-ethoxy-3-ethylphenyl)propan-1-one
CID 134624962
3-[3-chloro-2-[[4-(4-ethylpyrimidin-2-yl)-2-methylphenoxy]methyl]phenyl]-1-diazenyl-1-methylurea
CID 147688565
3-(2-ethoxy-5-phenylphenyl)propanoic acid
CID 83969109
N-(4-chlorophenyl)-4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3161763
[5-(2,6-diamino-5-cyanopyrimidin-4-yl)-2-ethoxyphenyl]methyl acetate
CID 169397574
3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide
CID 2989452

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-ethoxy-3-ethylphenyl)pyrimidin-4-yl]butanimidoyl]-N-ethylpropanamide?
The IUPAC name of N-[4-[2-(4-ethoxy-3-ethylphenyl)pyrimidin-4-yl]butanimidoyl]-N-ethylpropanamide (CID 171563085) is N-[4-[2-(4-ethoxy-3-ethylphenyl)pyrimidin-4-yl]butanimidoyl]-N-ethylpropanamide.
What is the SMILES notation for N-[4-[2-(4-ethoxy-3-ethylphenyl)pyrimidin-4-yl]butanimidoyl]-N-ethylpropanamide?
The canonical SMILES for N-[4-[2-(4-ethoxy-3-ethylphenyl)pyrimidin-4-yl]butanimidoyl]-N-ethylpropanamide is [H]/N=C(/CCCc1ccnc(-c2ccc(OCC)c(CC)c2)n1)N(CC)C(=O)CC.
What is the InChIKey of N-[4-[2-(4-ethoxy-3-ethylphenyl)pyrimidin-4-yl]butanimidoyl]-N-ethylpropanamide?
The InChIKey is AATXYCZTYUMNHG-FLFQWRMESA-N. The full InChI is InChI=1S/C23H32N4O2/c1-5-17-16-18(12-13-20(17)29-8-4)23-25-15-14-19(26-23)10-9-11-21(24)27(7-3)22(28)6-2/h12-16,24H,5-11H2,1-4H3/b24-21-.
What are the key properties of N-[4-[2-(4-ethoxy-3-ethylphenyl)pyrimidin-4-yl]butanimidoyl]-N-ethylpropanamide?
N-[4-[2-(4-ethoxy-3-ethylphenyl)pyrimidin-4-yl]butanimidoyl]-N-ethylpropanamide has a molecular weight of 396.54 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-ethoxy-3-ethylphenyl)pyrimidin-4-yl]butanimidoyl]-N-ethylpropanamide is sourced from PubChem (CID 171563085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).