5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride

C18H31ClN2O — CID 119501450

IUPAC5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride
SMILESCNCCNC(=O)CCCCc1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-18(2,3)16-11-9-15(10-12-16)7-5-6-8-17(21)20-14-13-19-4;/h9-12,19H,5-8,13-14H2,1-4H3,(H,20,21);1H
InChIKeyCBPMMADSIQLSLW-UHFFFAOYSA-N
MW326.91 g/mol
LogP3.45
Rot. Bonds8

About 5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride

5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride (PubChem CID 119501450) has the molecular formula C18H31ClN2O and a molecular weight of 326.91 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride
PubChem CID119501450
Molecular FormulaC18H31ClN2O
Molecular Weight326.91 g/mol
Exact Mass326.21
IUPAC Name5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride
SMILESCNCCNC(=O)CCCCc1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-18(2,3)16-11-9-15(10-12-16)7-5-6-8-17(21)20-14-13-19-4;/h9-12,19H,5-8,13-14H2,1-4H3,(H,20,21);1H
InChIKeyCBPMMADSIQLSLW-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.91
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500998
N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide
CID 119406266
6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide
CID 119500842
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056
7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
CID 119706715
4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110307736
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide
CID 87037217
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride?
The IUPAC name of 5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride (CID 119501450) is 5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride is CNCCNC(=O)CCCCc1ccc(C(C)(C)C)cc1.Cl.
What is the InChIKey of 5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride?
The InChIKey is CBPMMADSIQLSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O.ClH/c1-18(2,3)16-11-9-15(10-12-16)7-5-6-8-17(21)20-14-13-19-4;/h9-12,19H,5-8,13-14H2,1-4H3,(H,20,21);1H.
What are the key properties of 5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride?
5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride has a molecular weight of 326.91 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119501450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).