N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide

C18H30N2O2 — CID 119626635

IUPACN-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
SMILESCC(C)(N)CNC(=O)CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O2/c1-17(2,3)14-8-10-15(11-9-14)22-12-6-7-16(21)20-13-18(4,5)19/h8-11H,6-7,12-13,19H2,1-5H3,(H,20,21)
InChIKeyBASSLRVDIPBFSO-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.00
Rot. Bonds7

About N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide

N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide (PubChem CID 119626635) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
PubChem CID119626635
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
SMILESCC(C)(N)CNC(=O)CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O2/c1-17(2,3)14-8-10-15(11-9-14)22-12-6-7-16(21)20-13-18(4,5)19/h8-11H,6-7,12-13,19H2,1-5H3,(H,20,21)
InChIKeyBASSLRVDIPBFSO-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methoxyphenoxy)butanamide
CID 119625857
4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide
CID 97247433
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
methyl 3-[4-(4-tert-butylphenoxy)butanoylamino]propanoate
CID 78773025
4-(4-tert-butylphenoxy)butanamide
CID 82041345
3-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 60630698
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide
CID 51153172
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide
CID 119640920
4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide
CID 2677123
4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide
CID 19173562
4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide
CID 55711441

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide (CID 119626635) is N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide is CC(C)(N)CNC(=O)CCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide?
The InChIKey is BASSLRVDIPBFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-17(2,3)14-8-10-15(11-9-14)22-12-6-7-16(21)20-13-18(4,5)19/h8-11H,6-7,12-13,19H2,1-5H3,(H,20,21).
What are the key properties of N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide?
N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide has a molecular weight of 306.45 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide is sourced from PubChem (CID 119626635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).