3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide

C22H34N4O2 — CID 46523779

IUPAC3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C22H34N4O2/c1-25(17-18-9-5-6-12-20(18)26-15-7-8-16-26)21(27)13-14-23-22(28)24-19-10-3-2-4-11-19/h5-6,9,12,19H,2-4,7-8,10-11,13-17H2,1H3,(H2,23,24,28)
InChIKeyXAPHUFYBNKKJLF-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.27
Rot. Bonds7

About 3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide

3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide (PubChem CID 46523779) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
PubChem CID46523779
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C22H34N4O2/c1-25(17-18-9-5-6-12-20(18)26-15-7-8-16-26)21(27)13-14-23-22(28)24-19-10-3-2-4-11-19/h5-6,9,12,19H,2-4,7-8,10-11,13-17H2,1H3,(H2,23,24,28)
InChIKeyXAPHUFYBNKKJLF-UHFFFAOYSA-N
XLogP3.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 16614852
4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025212
N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 18152189
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
N-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide
CID 17491782
3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 87003169
N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 18146723
3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 52669946
2-chloro-N-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 24551605
N-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide
CID 51124929
N-[4-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 51233336
N-(cyclohexylcarbamoyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 46631245

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide (CID 46523779) is 3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide is CN(Cc1ccccc1N1CCCC1)C(=O)CCNC(=O)NC1CCCCC1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The InChIKey is XAPHUFYBNKKJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-25(17-18-9-5-6-12-20(18)26-15-7-8-16-26)21(27)13-14-23-22(28)24-19-10-3-2-4-11-19/h5-6,9,12,19H,2-4,7-8,10-11,13-17H2,1H3,(H2,23,24,28).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide has a molecular weight of 386.54 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 46523779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).