N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide

C16H24N2O2 — CID 119617616

IUPACN-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)NC(CN)C1CC1
InChIInChI=1S/C16H24N2O2/c1-12-5-2-3-6-15(12)20-10-4-7-16(19)18-14(11-17)13-8-9-13/h2-3,5-6,13-14H,4,7-11,17H2,1H3,(H,18,19)
InChIKeyVHPKAMUQSVBAGD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.01
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide

N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide (PubChem CID 119617616) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide
PubChem CID119617616
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)NC(CN)C1CC1
InChIInChI=1S/C16H24N2O2/c1-12-5-2-3-6-15(12)20-10-4-7-16(19)18-14(11-17)13-8-9-13/h2-3,5-6,13-14H,4,7-11,17H2,1H3,(H,18,19)
InChIKeyVHPKAMUQSVBAGD-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.01
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-(2-chlorophenoxy)butanamide
CID 119617753
N-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide
CID 119614777
N-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide
CID 119617914
N-(2-amino-1-cyclopropylethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119614047
ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate
CID 61343880
N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide
CID 65189008
N-(2-amino-1-cyclopropylethyl)-4-(3-fluorophenoxy)butanamide
CID 119616655
N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenoxy)butanamide
CID 119617903
N-(2-amino-1-cyclopropylethyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119616654
N-(2-amino-1-cyclopropylethyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119612699
(2S)-3-methyl-2-[4-(2-methylphenoxy)butanoylamino]butanoic acid
CID 61137299
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-(2-methylphenoxy)butanamide
CID 103798851

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide (CID 119617616) is N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide is Cc1ccccc1OCCCC(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide?
The InChIKey is VHPKAMUQSVBAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-2-3-6-15(12)20-10-4-7-16(19)18-14(11-17)13-8-9-13/h2-3,5-6,13-14H,4,7-11,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide?
N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide has a molecular weight of 276.38 g/mol, XLogP of 2.01, 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-(2-methylphenoxy)butanamide is sourced from PubChem (CID 119617616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).