N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide

C17H28N2O3 — CID 119522166

IUPACN-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide
SMILESCOCCc1ccc(OCCCC(=O)NC(C)(C)CN)cc1
InChIInChI=1S/C17H28N2O3/c1-17(2,13-18)19-16(20)5-4-11-22-15-8-6-14(7-9-15)10-12-21-3/h6-9H,4-5,10-13,18H2,1-3H3,(H,19,20)
InChIKeyLKDGUXPRCFQQSE-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.89
Rot. Bonds10

About N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide

N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide (PubChem CID 119522166) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide
PubChem CID119522166
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide
SMILESCOCCc1ccc(OCCCC(=O)NC(C)(C)CN)cc1
InChIInChI=1S/C17H28N2O3/c1-17(2,13-18)19-16(20)5-4-11-22-15-8-6-14(7-9-15)10-12-21-3/h6-9H,4-5,10-13,18H2,1-3H3,(H,19,20)
InChIKeyLKDGUXPRCFQQSE-UHFFFAOYSA-N
XLogP1.89
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.89
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-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide
CID 119524592
4-[4-(2-methoxyethyl)phenoxy]butanoic acid
CID 43169586
N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119522331
N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethoxy)benzamide
CID 119523172
N-(1-amino-2-methylpropan-2-yl)-5-(4-methylphenyl)pentanamide
CID 119522094
N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 119523960
4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide
CID 119524189
N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide
CID 119522264
N-(1-amino-2-methylpropan-2-yl)-2-(4-ethylphenoxy)acetamide
CID 82354507
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 119572344
N-(2-aminoethyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 61207330
N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide
CID 110834140

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide (CID 119522166) is N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide is COCCc1ccc(OCCCC(=O)NC(C)(C)CN)cc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide?
The InChIKey is LKDGUXPRCFQQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-17(2,13-18)19-16(20)5-4-11-22-15-8-6-14(7-9-15)10-12-21-3/h6-9H,4-5,10-13,18H2,1-3H3,(H,19,20).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide?
N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide has a molecular weight of 308.42 g/mol, XLogP of 1.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide is sourced from PubChem (CID 119522166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).