2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C22H33N3O — CID 52684884

IUPAC2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CN(CC1CCCCC1)C1CC1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C22H33N3O/c26-22(17-25(21-12-13-21)16-18-6-2-1-3-7-18)23-19-8-10-20(11-9-19)24-14-4-5-15-24/h8-11,18,21H,1-7,12-17H2,(H,23,26)
InChIKeyFIMIDJMGFBXCSK-UHFFFAOYSA-N
MW355.53 g/mol
LogP4.27
Rot. Bonds7

About 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 52684884) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID52684884
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CN(CC1CCCCC1)C1CC1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C22H33N3O/c26-22(17-25(21-12-13-21)16-18-6-2-1-3-7-18)23-19-8-10-20(11-9-19)24-14-4-5-15-24/h8-11,18,21H,1-7,12-17H2,(H,23,26)
InChIKeyFIMIDJMGFBXCSK-UHFFFAOYSA-N
XLogP4.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-1-[[(1S,3R)-3-[[cyclohexyl-[(4-piperidin-1-ylphenyl)carbamoyl]amino]methyl]cyclohexyl]methyl]-3-(4-piperidin-1-ylphenyl)urea
CID 70184948
3-[4-(azocan-1-yl)phenyl]-1-[[4-[[[4-(azocan-1-yl)phenyl]carbamoyl-cyclohexylamino]methyl]cyclohexyl]methyl]-1-cyclohexylurea
CID 18934994
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 51199480
N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108942640
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108902937
2-[acetyl(cyclopropyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113158453
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109013734
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862088
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 52684884) is 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(CN(CC1CCCCC1)C1CC1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is FIMIDJMGFBXCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c26-22(17-25(21-12-13-21)16-18-6-2-1-3-7-18)23-19-8-10-20(11-9-19)24-14-4-5-15-24/h8-11,18,21H,1-7,12-17H2,(H,23,26).
What are the key properties of 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 355.53 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 52684884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).