4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride

C17H33ClN4O2 — CID 119534786

IUPAC4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
SMILESCl.O=C(CCCNC(=O)NC1CCCCC1)NCCC1CCNC1
InChIInChI=1S/C17H32N4O2.ClH/c22-16(19-12-9-14-8-11-18-13-14)7-4-10-20-17(23)21-15-5-2-1-3-6-15;/h14-15,18H,1-13H2,(H,19,22)(H2,20,21,23);1H
InChIKeyORZSVXYDLBLAML-UHFFFAOYSA-N
MW360.93 g/mol
LogP1.94
Rot. Bonds8

About 4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride

4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride (PubChem CID 119534786) has the molecular formula C17H33ClN4O2 and a molecular weight of 360.93 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
PubChem CID119534786
Molecular FormulaC17H33ClN4O2
Molecular Weight360.93 g/mol
Exact Mass360.23
IUPAC Name4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
SMILESCl.O=C(CCCNC(=O)NC1CCCCC1)NCCC1CCNC1
InChIInChI=1S/C17H32N4O2.ClH/c22-16(19-12-9-14-8-11-18-13-14)7-4-10-20-17(23)21-15-5-2-1-3-6-15;/h14-15,18H,1-13H2,(H,19,22)(H2,20,21,23);1H
InChIKeyORZSVXYDLBLAML-UHFFFAOYSA-N
XLogP1.94
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide
CID 119425673
5,5-dimethyl-N-(2-piperidin-3-ylethyl)hexanamide;hydrochloride
CID 119559479
N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
CID 119537193
2-cyclohexyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260693
2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557821
4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide
CID 60616890
2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide
CID 119534347
4-methoxy-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555814
1-[4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-4-oxobutyl]-3-cyclohexylurea;hydrochloride
CID 120656749
4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534000
N-(3-cyclopentylpropyl)-3-piperidin-3-ylpropanamide
CID 106011682
3-methoxy-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 63630087

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride (CID 119534786) is 4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride is Cl.O=C(CCCNC(=O)NC1CCCCC1)NCCC1CCNC1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
The InChIKey is ORZSVXYDLBLAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2.ClH/c22-16(19-12-9-14-8-11-18-13-14)7-4-10-20-17(23)21-15-5-2-1-3-6-15;/h14-15,18H,1-13H2,(H,19,22)(H2,20,21,23);1H.
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 1.94, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119534786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).