N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide

C15H24N2O3 — CID 119625857

IUPACN-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)NCC(C)(C)N)cc1
InChIInChI=1S/C15H24N2O3/c1-15(2,16)11-17-14(18)5-4-10-20-13-8-6-12(19-3)7-9-13/h6-9H,4-5,10-11,16H2,1-3H3,(H,17,18)
InChIKeyLSCCZKITJIQRRX-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.71
Rot. Bonds8

About N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide

N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide (PubChem CID 119625857) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide
PubChem CID119625857
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)NCC(C)(C)N)cc1
InChIInChI=1S/C15H24N2O3/c1-15(2,16)11-17-14(18)5-4-10-20-13-8-6-12(19-3)7-9-13/h6-9H,4-5,10-11,16H2,1-3H3,(H,17,18)
InChIKeyLSCCZKITJIQRRX-UHFFFAOYSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
CID 119626635
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide
CID 82354195
N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide
CID 119640920
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride
CID 119504704
4-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]butanamide
CID 110460825
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
(4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate
CID 83824610
4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 87041312
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 119572344
N-[2-(4-methoxyphenyl)-2-methylpropyl]pentanamide
CID 113090425

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide (CID 119625857) is N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide is COc1ccc(OCCCC(=O)NCC(C)(C)N)cc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide?
The InChIKey is LSCCZKITJIQRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,16)11-17-14(18)5-4-10-20-13-8-6-12(19-3)7-9-13/h6-9H,4-5,10-11,16H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide?
N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide has a molecular weight of 280.37 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 119625857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).