N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide

C18H28N2O2 — CID 119613985

IUPACN-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC(CN)C1CC1
InChIInChI=1S/C18H28N2O2/c1-12(17(21)20-16(11-19)13-5-6-13)22-15-9-7-14(8-10-15)18(2,3)4/h7-10,12-13,16H,5-6,11,19H2,1-4H3,(H,20,21)
InChIKeyVYOAJRBQMOQUBA-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.60
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide

N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide (PubChem CID 119613985) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide
PubChem CID119613985
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC(CN)C1CC1
InChIInChI=1S/C18H28N2O2/c1-12(17(21)20-16(11-19)13-5-6-13)22-15-9-7-14(8-10-15)18(2,3)4/h7-10,12-13,16H,5-6,11,19H2,1-4H3,(H,20,21)
InChIKeyVYOAJRBQMOQUBA-UHFFFAOYSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119615423
N-(2-amino-1-cyclopropylethyl)-2-(3,4-dichlorophenoxy)propanamide;hydrochloride
CID 119613645
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
CID 16620513
N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide
CID 119997217
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride
CID 119475538
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984743
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119613879
ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate
CID 51177018
N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 119613885

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide (CID 119613985) is N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide?
The InChIKey is VYOAJRBQMOQUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12(17(21)20-16(11-19)13-5-6-13)22-15-9-7-14(8-10-15)18(2,3)4/h7-10,12-13,16H,5-6,11,19H2,1-4H3,(H,20,21).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide?
N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide is sourced from PubChem (CID 119613985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).