N-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide

C17H26N2O2 — CID 119617914

IUPACN-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NC(CN)C2CC2)cc1C
InChIInChI=1S/C17H26N2O2/c1-12-5-8-15(10-13(12)2)21-9-3-4-17(20)19-16(11-18)14-6-7-14/h5,8,10,14,16H,3-4,6-7,9,11,18H2,1-2H3,(H,19,20)
InChIKeyCUFSDUOHCRWSPQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.32
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide

N-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide (PubChem CID 119617914) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide
PubChem CID119617914
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NC(CN)C2CC2)cc1C
InChIInChI=1S/C17H26N2O2/c1-12-5-8-15(10-13(12)2)21-9-3-4-17(20)19-16(11-18)14-6-7-14/h5,8,10,14,16H,3-4,6-7,9,11,18H2,1-2H3,(H,19,20)
InChIKeyCUFSDUOHCRWSPQ-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.32
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-1-cyclopropylethyl)-4-(3-fluorophenoxy)butanamide
CID 119616655
N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide
CID 119617616
N-(2-amino-1-cyclopropylethyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119616654
N-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide
CID 119614777
N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119615003
N-(2-amino-1-cyclohexylethyl)-4-(4-methylsulfonylphenoxy)butanamide;hydrochloride
CID 119592068
N-(2-amino-1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119614077
N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide
CID 119617753
N-[(2S)-1-aminopropan-2-yl]-4-(4-chloro-3-methylphenoxy)butanamide
CID 120507285
N-(2-amino-1-cyclopropylethyl)-2-(3-methylphenoxy)acetamide
CID 119616033
N-(2-amino-1-cyclopropylethyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 119616028
4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 119590176

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide (CID 119617914) is N-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide is Cc1ccc(OCCCC(=O)NC(CN)C2CC2)cc1C.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide?
The InChIKey is CUFSDUOHCRWSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-5-8-15(10-13(12)2)21-9-3-4-17(20)19-16(11-18)14-6-7-14/h5,8,10,14,16H,3-4,6-7,9,11,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide?
N-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide has a molecular weight of 290.41 g/mol, XLogP of 2.32, 8 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)-4-(3,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 119617914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).