N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride

C18H29ClN2O2 — CID 119573465

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
SMILESCC(CN)(NC(=O)CCCOCCc1ccccc1)C1CC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-18(14-19,16-9-10-16)20-17(21)8-5-12-22-13-11-15-6-3-2-4-7-15;/h2-4,6-7,16H,5,8-14,19H2,1H3,(H,20,21);1H
InChIKeyMBXOUBUOZBEEKM-UHFFFAOYSA-N
MW340.89 g/mol
LogP2.69
Rot. Bonds10

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride (PubChem CID 119573465) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.89 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
PubChem CID119573465
Molecular FormulaC18H29ClN2O2
Molecular Weight340.89 g/mol
Exact Mass340.19
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
SMILESCC(CN)(NC(=O)CCCOCCc1ccccc1)C1CC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-18(14-19,16-9-10-16)20-17(21)8-5-12-22-13-11-15-6-3-2-4-7-15;/h2-4,6-7,16H,5,8-14,19H2,1H3,(H,20,21);1H
InChIKeyMBXOUBUOZBEEKM-UHFFFAOYSA-N
XLogP2.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.89
LogP ≤ 52.69
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-(1-amino-2-cyclopropylpropan-2-yl)-5-(4-methylphenyl)pentanamide;hydrochloride
CID 119572987
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 119572344
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-phenylpropylsulfonyl)acetamide
CID 119574353
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride
CID 119574926
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119574829
3-methyl-3-[4-(2-phenylethoxy)butanoylamino]pentanoic acid
CID 75429166
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-bromophenyl)propanamide;hydrochloride
CID 119575175
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide
CID 51094975
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)propanamide
CID 119572773
N-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride
CID 119573045
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-bromophenyl)propanamide
CID 119575176
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806941

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride (CID 119573465) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride is CC(CN)(NC(=O)CCCOCCc1ccccc1)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride?
The InChIKey is MBXOUBUOZBEEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-18(14-19,16-9-10-16)20-17(21)8-5-12-22-13-11-15-6-3-2-4-7-15;/h2-4,6-7,16H,5,8-14,19H2,1H3,(H,20,21);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride has a molecular weight of 340.89 g/mol, XLogP of 2.69, 10 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)-4-(2-phenylethoxy)butanamide;hydrochloride is sourced from PubChem (CID 119573465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).