N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride

C16H23Cl3N2O2 — CID 119574926

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride
SMILESCC(CN)(NC(=O)CCCOc1cccc(Cl)c1Cl)C1CC1.Cl
InChIInChI=1S/C16H22Cl2N2O2.ClH/c1-16(10-19,11-7-8-11)20-14(21)6-3-9-22-13-5-2-4-12(17)15(13)18;/h2,4-5,11H,3,6-10,19H2,1H3,(H,20,21);1H
InChIKeySECCPGZIGJLCAI-UHFFFAOYSA-N
MW381.73 g/mol
LogP3.82
Rot. Bonds8

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride (PubChem CID 119574926) has the molecular formula C16H23Cl3N2O2 and a molecular weight of 381.73 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride
PubChem CID119574926
Molecular FormulaC16H23Cl3N2O2
Molecular Weight381.73 g/mol
Exact Mass380.08
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride
SMILESCC(CN)(NC(=O)CCCOc1cccc(Cl)c1Cl)C1CC1.Cl
InChIInChI=1S/C16H22Cl2N2O2.ClH/c1-16(10-19,11-7-8-11)20-14(21)6-3-9-22-13-5-2-4-12(17)15(13)18;/h2,4-5,11H,3,6-10,19H2,1H3,(H,20,21);1H
InChIKeySECCPGZIGJLCAI-UHFFFAOYSA-N
XLogP3.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.73
LogP ≤ 53.82
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)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119574900
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 119572344
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
CID 119573465
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride
CID 119574074
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,6-dimethoxyphenyl)acetamide;hydrochloride
CID 119574609
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)propanamide
CID 119572773
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119574756
N-(1-amino-2-cyclopropylpropan-2-yl)-5-(4-methylphenyl)pentanamide;hydrochloride
CID 119572987
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-methoxyanilino)acetamide;dihydrochloride
CID 119572973
N-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride
CID 119573045
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide
CID 119575859
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-fluorophenoxy)acetamide;hydrochloride
CID 119572196

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride (CID 119574926) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride is CC(CN)(NC(=O)CCCOc1cccc(Cl)c1Cl)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride?
The InChIKey is SECCPGZIGJLCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2.ClH/c1-16(10-19,11-7-8-11)20-14(21)6-3-9-22-13-5-2-4-12(17)15(13)18;/h2,4-5,11H,3,6-10,19H2,1H3,(H,20,21);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride has a molecular weight of 381.73 g/mol, XLogP of 3.82, 8 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-(2,3-dichlorophenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119574926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).