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

C16H24N2O2 — CID 119617903

IUPACN-(2-amino-1-cyclopropylethyl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)NC(CN)C1CC1
InChIInChI=1S/C16H24N2O2/c1-3-14(20-15-7-5-4-6-11(15)2)16(19)18-13(10-17)12-8-9-12/h4-7,12-14H,3,8-10,17H2,1-2H3,(H,18,19)
InChIKeyXIIFGSMCSPMAKE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.01
Rot. Bonds7

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

N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenoxy)butanamide (PubChem CID 119617903) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(2-methylphenoxy)butanamide
PubChem CID119617903
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)NC(CN)C1CC1
InChIInChI=1S/C16H24N2O2/c1-3-14(20-15-7-5-4-6-11(15)2)16(19)18-13(10-17)12-8-9-12/h4-7,12-14H,3,8-10,17H2,1-2H3,(H,18,19)
InChIKeyXIIFGSMCSPMAKE-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide
CID 119617616
2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
CID 17328056
2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
CID 132652224
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
N-(2-amino-1-cyclopropylethyl)-2-(2-ethylphenoxy)-2-phenylacetamide;hydrochloride
CID 119616467
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide
CID 110001590
(2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 92677761
(2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide
CID 28572865
N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide
CID 4932039
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide
CID 43916086
N-(2-amino-1-cyclopropylethyl)-2-[(2-methylphenyl)methoxy]benzamide;hydrochloride
CID 119616996

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenoxy)butanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenoxy)butanamide (CID 119617903) is N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenoxy)butanamide?
The InChIKey is XIIFGSMCSPMAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-14(20-15-7-5-4-6-11(15)2)16(19)18-13(10-17)12-8-9-12/h4-7,12-14H,3,8-10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenoxy)butanamide?
N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenoxy)butanamide has a molecular weight of 276.38 g/mol, XLogP of 2.01, 7 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)-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 119617903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).