N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide

C18H28N2O2 — CID 119572861

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C18H28N2O2/c1-12(2)14-6-5-7-16(10-14)22-13(3)17(21)20-18(4,11-19)15-8-9-15/h5-7,10,12-13,15H,8-9,11,19H2,1-4H3,(H,20,21)
InChIKeyHTFOEPQSVQACSP-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.82
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide (PubChem CID 119572861) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide
PubChem CID119572861
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C18H28N2O2/c1-12(2)14-6-5-7-16(10-14)22-13(3)17(21)20-18(4,11-19)15-8-9-15/h5-7,10,12-13,15H,8-9,11,19H2,1-4H3,(H,20,21)
InChIKeyHTFOEPQSVQACSP-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119572860
2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride
CID 119572644
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 119574218
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119606053
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide
CID 119575701
N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119626548
N-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride
CID 119573018
methyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate
CID 55793330
N-tert-butyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78933960
(3R)-3-cyclopropyl-3-[[(2S)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide
CID 95778185
(3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide
CID 95778184
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyphenyl)acetamide
CID 119573037

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide (CID 119572861) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide is CC(Oc1cccc(C(C)C)c1)C(=O)NC(C)(CN)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide?
The InChIKey is HTFOEPQSVQACSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12(2)14-6-5-7-16(10-14)22-13(3)17(21)20-18(4,11-19)15-8-9-15/h5-7,10,12-13,15H,8-9,11,19H2,1-4H3,(H,20,21).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 119572861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).