(2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide

C22H34N4O3 — CID 11933178

IUPAC(2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C22H34N4O3/c1-5-26(16(3)22(29)25-20-9-7-6-8-15(20)2)14-21(28)24-19-12-10-18(11-13-19)23-17(4)27/h10-13,15-16,20H,5-9,14H2,1-4H3,(H,23,27)(H,24,28)(H,25,29)/t15-,16+,20+/m0/s1
InChIKeyCJNILTUHUBNRQT-RZQQEMMASA-N
MW402.54 g/mol
LogP2.99
Rot. Bonds8

About (2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide

(2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide (PubChem CID 11933178) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is (2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
PubChem CID11933178
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name(2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C22H34N4O3/c1-5-26(16(3)22(29)25-20-9-7-6-8-15(20)2)14-21(28)24-19-12-10-18(11-13-19)23-17(4)27/h10-13,15-16,20H,5-9,14H2,1-4H3,(H,23,27)(H,24,28)(H,25,29)/t15-,16+,20+/m0/s1
InChIKeyCJNILTUHUBNRQT-RZQQEMMASA-N
XLogP2.99
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide 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

(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11933385
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclopentylpropanamide
CID 51171045
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide
CID 51171048
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide
CID 8791504
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide
CID 8779615
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
CID 9252943
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949887
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide
CID 51171051
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 40746002
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 9198399
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9167461
2-[methyl-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]amino]-N-(4-methylphenyl)acetamide
CID 8742483

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide (CID 11933178) is (2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of (2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The InChIKey is CJNILTUHUBNRQT-RZQQEMMASA-N. The full InChI is InChI=1S/C22H34N4O3/c1-5-26(16(3)22(29)25-20-9-7-6-8-15(20)2)14-21(28)24-19-12-10-18(11-13-19)23-17(4)27/h10-13,15-16,20H,5-9,14H2,1-4H3,(H,23,27)(H,24,28)(H,25,29)/t15-,16+,20+/m0/s1.
What are the key properties of (2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
(2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide has a molecular weight of 402.54 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 11933178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).