5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide

C22H34N4O2 — CID 42752999

IUPAC5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
SMILESCC(C)(C)NC(=O)Nc1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H34N4O2/c1-22(2,3)25-21(28)24-17-11-12-19(26-13-7-8-14-26)18(15-17)20(27)23-16-9-5-4-6-10-16/h11-12,15-16H,4-10,13-14H2,1-3H3,(H,23,27)(H2,24,25,28)
InChIKeyJRMZNORULIKBRE-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.27
Rot. Bonds4

About 5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide

5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide (PubChem CID 42752999) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
PubChem CID42752999
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
SMILESCC(C)(C)NC(=O)Nc1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H34N4O2/c1-22(2,3)25-21(28)24-17-11-12-19(26-13-7-8-14-26)18(15-17)20(27)23-16-9-5-4-6-10-16/h11-12,15-16H,4-10,13-14H2,1-3H3,(H,23,27)(H2,24,25,28)
InChIKeyJRMZNORULIKBRE-UHFFFAOYSA-N
XLogP4.27
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.27
H-Bond Donors ≤ 53
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

N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065596
5-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064488
5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064478
N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42659847
5-[(4-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064480
N-cyclohexyl-5-(cyclopropanecarbonylamino)-2-(4-methylpiperidin-1-yl)benzamide
CID 4265195
N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065604
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 3950212
1-tert-butyl-3-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]urea
CID 42751588
5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 42751555
5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide
CID 1063518
5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42659848

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide (CID 42752999) is 5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide is CC(C)(C)NC(=O)Nc1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is JRMZNORULIKBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-22(2,3)25-21(28)24-17-11-12-19(26-13-7-8-14-26)18(15-17)20(27)23-16-9-5-4-6-10-16/h11-12,15-16H,4-10,13-14H2,1-3H3,(H,23,27)(H2,24,25,28).
What are the key properties of 5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide?
5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 386.54 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42752999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).