2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

C22H35N3O2 — CID 51135124

IUPAC2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CN(CC(C)O)C1CCCCC1
InChIInChI=1S/C22H35N3O2/c1-17-14-20(24-12-6-7-13-24)10-11-21(17)23-22(27)16-25(15-18(2)26)19-8-4-3-5-9-19/h10-11,14,18-19,26H,3-9,12-13,15-16H2,1-2H3,(H,23,27)
InChIKeyMYQIFHUZNZRRRE-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.55
Rot. Bonds7

About 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 51135124) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID51135124
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CN(CC(C)O)C1CCCCC1
InChIInChI=1S/C22H35N3O2/c1-17-14-20(24-12-6-7-13-24)10-11-21(17)23-22(27)16-25(15-18(2)26)19-8-4-3-5-9-19/h10-11,14,18-19,26H,3-9,12-13,15-16H2,1-2H3,(H,23,27)
InChIKeyMYQIFHUZNZRRRE-UHFFFAOYSA-N
XLogP3.55
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide
CID 4787565
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 34201318
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 82013453
2-(4-hydroxypiperidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 39983128
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 18088648
2-(4-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 26070733
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 46564173
1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 110890872
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
CID 110923589
[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] (2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate
CID 46610638

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (CID 51135124) is 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is Cc1cc(N2CCCC2)ccc1NC(=O)CN(CC(C)O)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is MYQIFHUZNZRRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-17-14-20(24-12-6-7-13-24)10-11-21(17)23-22(27)16-25(15-18(2)26)19-8-4-3-5-9-19/h10-11,14,18-19,26H,3-9,12-13,15-16H2,1-2H3,(H,23,27).
What are the key properties of 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 373.54 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 51135124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).