N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride

C18H34ClN3O2 — CID 119589621

IUPACN-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride
SMILESCl.NCC(NC(=O)CNC(=O)CCC1CCCC1)C1CCCCC1
InChIInChI=1S/C18H33N3O2.ClH/c19-12-16(15-8-2-1-3-9-15)21-18(23)13-20-17(22)11-10-14-6-4-5-7-14;/h14-16H,1-13,19H2,(H,20,22)(H,21,23);1H
InChIKeyOEFXIQUHUVYPNA-UHFFFAOYSA-N
MW359.94 g/mol
LogP2.52
Rot. Bonds8

About N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride

N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride (PubChem CID 119589621) has the molecular formula C18H34ClN3O2 and a molecular weight of 359.94 g/mol. Its IUPAC name is N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride
PubChem CID119589621
Molecular FormulaC18H34ClN3O2
Molecular Weight359.94 g/mol
Exact Mass359.23
IUPAC NameN-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride
SMILESCl.NCC(NC(=O)CNC(=O)CCC1CCCC1)C1CCCCC1
InChIInChI=1S/C18H33N3O2.ClH/c19-12-16(15-8-2-1-3-9-15)21-18(23)13-20-17(22)11-10-14-6-4-5-7-14;/h14-16H,1-13,19H2,(H,20,22)(H,21,23);1H
InChIKeyOEFXIQUHUVYPNA-UHFFFAOYSA-N
XLogP2.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.94
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride
CID 119613774
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N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
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3-cyclopentyl-N-[2-[(2-cyclopentyl-2-hydroxyethyl)amino]-2-oxoethyl]propanamide
CID 111426276
N-(2-amino-2-oxoethyl)-3-cyclopentylpropanamide
CID 60668206
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CID 119260925
N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride
CID 119590150
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119590413
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
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CID 122080634

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride?
The IUPAC name of N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride (CID 119589621) is N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride?
The canonical SMILES for N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride is Cl.NCC(NC(=O)CNC(=O)CCC1CCCC1)C1CCCCC1.
What is the InChIKey of N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride?
The InChIKey is OEFXIQUHUVYPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2.ClH/c19-12-16(15-8-2-1-3-9-15)21-18(23)13-20-17(22)11-10-14-6-4-5-7-14;/h14-16H,1-13,19H2,(H,20,22)(H,21,23);1H.
What are the key properties of N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride?
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride has a molecular weight of 359.94 g/mol, XLogP of 2.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride is sourced from PubChem (CID 119589621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).