N-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide

C28H34N4O2 — CID 123235406

IUPACN-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
SMILESCc1cccc(N(C(=O)Cn2cc(C)cn2)C(C(=O)NC2CCCCC2)c2ccccc2C)c1
InChIInChI=1S/C28H34N4O2/c1-20-10-9-14-24(16-20)32(26(33)19-31-18-21(2)17-29-31)27(25-15-8-7-11-22(25)3)28(34)30-23-12-5-4-6-13-23/h7-11,14-18,23,27H,4-6,12-13,19H2,1-3H3,(H,30,34)
InChIKeyGNHJNPBYGPTPCF-UHFFFAOYSA-N
MW458.61 g/mol
LogP5.03
Rot. Bonds7

About N-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide

N-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide (PubChem CID 123235406) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
PubChem CID123235406
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
SMILESCc1cccc(N(C(=O)Cn2cc(C)cn2)C(C(=O)NC2CCCCC2)c2ccccc2C)c1
InChIInChI=1S/C28H34N4O2/c1-20-10-9-14-24(16-20)32(26(33)19-31-18-21(2)17-29-31)27(25-15-8-7-11-22(25)3)28(34)30-23-12-5-4-6-13-23/h7-11,14-18,23,27H,4-6,12-13,19H2,1-3H3,(H,30,34)
InChIKeyGNHJNPBYGPTPCF-UHFFFAOYSA-N
XLogP5.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide 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

N-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 71457355
2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 56645149
N-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
CID 123763803
2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 3197895
2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentyl-2-(2-methylphenyl)acetamide
CID 3198160
N-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211542
2-[(2-chloroacetyl)-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 4086572
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3219206
2-(N-[2-(4-cyanoanilino)acetyl]-3-fluoroanilino)-N-cycloheptyl-2-(2-methylphenyl)acetamide
CID 147804491
N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3188555
2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methylanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide
CID 3212069
N-[(1S)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 1167318

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide (CID 123235406) is N-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide is Cc1cccc(N(C(=O)Cn2cc(C)cn2)C(C(=O)NC2CCCCC2)c2ccccc2C)c1.
What is the InChIKey of N-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide?
The InChIKey is GNHJNPBYGPTPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-20-10-9-14-24(16-20)32(26(33)19-31-18-21(2)17-29-31)27(25-15-8-7-11-22(25)3)28(34)30-23-12-5-4-6-13-23/h7-11,14-18,23,27H,4-6,12-13,19H2,1-3H3,(H,30,34).
What are the key properties of N-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide?
N-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide has a molecular weight of 458.61 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-methyl-N-[2-(4-methylpyrazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 123235406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).