N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride

C17H28Cl2N2O — CID 119527050

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride
SMILESC=CCCCC(=O)NCC(N)c1ccc(C(C)C)cc1.Cl.Cl
InChIInChI=1S/C17H26N2O.2ClH/c1-4-5-6-7-17(20)19-12-16(18)15-10-8-14(9-11-15)13(2)3;;/h4,8-11,13,16H,1,5-7,12,18H2,2-3H3,(H,19,20);2*1H
InChIKeySBCWSYFOFXJNPR-UHFFFAOYSA-N
MW347.33 g/mol
LogP4.13
Rot. Bonds8

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride (PubChem CID 119527050) has the molecular formula C17H28Cl2N2O and a molecular weight of 347.33 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride
PubChem CID119527050
Molecular FormulaC17H28Cl2N2O
Molecular Weight347.33 g/mol
Exact Mass346.16
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride
SMILESC=CCCCC(=O)NCC(N)c1ccc(C(C)C)cc1.Cl.Cl
InChIInChI=1S/C17H26N2O.2ClH/c1-4-5-6-7-17(20)19-12-16(18)15-10-8-14(9-11-15)13(2)3;;/h4,8-11,13,16H,1,5-7,12,18H2,2-3H3,(H,19,20);2*1H
InChIKeySBCWSYFOFXJNPR-UHFFFAOYSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pent-4-enamide;dihydrochloride
CID 119526644
7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide
CID 122080402
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methoxypentanamide;hydrochloride
CID 119526500
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride
CID 119525264
2-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119526121
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526971
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526959
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide
CID 119525929
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride
CID 119526922
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 119260530

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride (CID 119527050) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride is C=CCCCC(=O)NCC(N)c1ccc(C(C)C)cc1.Cl.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride?
The InChIKey is SBCWSYFOFXJNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.2ClH/c1-4-5-6-7-17(20)19-12-16(18)15-10-8-14(9-11-15)13(2)3;;/h4,8-11,13,16H,1,5-7,12,18H2,2-3H3,(H,19,20);2*1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride has a molecular weight of 347.33 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride is sourced from PubChem (CID 119527050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).