(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride

C15H23ClN2O3 — CID 119286967

IUPAC(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1ccc(OC)c(CN(C(=O)[C@@H](C)N)C2CC2)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-10(16)15(18)17(12-4-5-12)9-11-8-13(19-2)6-7-14(11)20-3;/h6-8,10,12H,4-5,9,16H2,1-3H3;1H/t10-;/m1./s1
InChIKeyHIRHZPQZHSABLM-HNCPQSOCSA-N
MW314.81 g/mol
LogP1.96
Rot. Bonds6

About (2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride

(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride (PubChem CID 119286967) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is (2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
PubChem CID119286967
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1ccc(OC)c(CN(C(=O)[C@@H](C)N)C2CC2)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-10(16)15(18)17(12-4-5-12)9-11-8-13(19-2)6-7-14(11)20-3;/h6-8,10,12H,4-5,9,16H2,1-3H3;1H/t10-;/m1./s1
InChIKeyHIRHZPQZHSABLM-HNCPQSOCSA-N
XLogP1.96
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54995705
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide
CID 120560197
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119286973
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119286963
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide
CID 52574681
N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)acetamide
CID 78860034
3-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119719111
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide
CID 34979795
9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985463
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-difluorobenzamide
CID 33078367

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride (CID 119286967) is (2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride is COc1ccc(OC)c(CN(C(=O)[C@@H](C)N)C2CC2)c1.Cl.
What is the InChIKey of (2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride?
The InChIKey is HIRHZPQZHSABLM-HNCPQSOCSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-10(16)15(18)17(12-4-5-12)9-11-8-13(19-2)6-7-14(11)20-3;/h6-8,10,12H,4-5,9,16H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of (2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride?
(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119286967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).