4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride

C14H23ClN2O — CID 120558713

IUPAC4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1ccccc1C(C)C.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-10(2)12-6-4-5-7-13(12)16-14(17)9-8-11(3)15;/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17);1H
InChIKeyLWRBFAIXHWBIRN-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.30
Rot. Bonds5

About 4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride

4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride (PubChem CID 120558713) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
PubChem CID120558713
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1ccccc1C(C)C.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-10(2)12-6-4-5-7-13(12)16-14(17)9-8-11(3)15;/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17);1H
InChIKeyLWRBFAIXHWBIRN-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-amino-N-(2-propylphenyl)pentanamide;hydrochloride
CID 120559764
5-chloro-N-(2-propan-2-ylphenyl)pentanamide
CID 28727835
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride (CID 120558713) is 4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride is CC(N)CCC(=O)Nc1ccccc1C(C)C.Cl.
What is the InChIKey of 4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride?
The InChIKey is LWRBFAIXHWBIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-10(2)12-6-4-5-7-13(12)16-14(17)9-8-11(3)15;/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride?
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride is sourced from PubChem (CID 120558713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).