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

C18H29ClN2O2 — CID 119572860

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)NC(C)(CN)C1CC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/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);1H
InChIKeyRDDVEWOVQZXNGZ-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.24
Rot. Bonds7

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

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride (PubChem CID 119572860) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
PubChem CID119572860
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)NC(C)(CN)C1CC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/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);1H
InChIKeyRDDVEWOVQZXNGZ-UHFFFAOYSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.24
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
CID 119572861
2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride
CID 119572644
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-methylphenoxy)propanamide
CID 119574218
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;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride (CID 119572860) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride is CC(Oc1cccc(C(C)C)c1)C(=O)NC(C)(CN)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride?
The InChIKey is RDDVEWOVQZXNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/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);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.24, 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;hydrochloride is sourced from PubChem (CID 119572860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).