(2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride

C14H23ClN2O4 — CID 119320832

IUPAC(2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCOc1cc(OC)c(CCNC(=O)[C@@H](C)N)c(OC)c1.Cl
InChIInChI=1S/C14H22N2O4.ClH/c1-9(15)14(17)16-6-5-11-12(19-3)7-10(18-2)8-13(11)20-4;/h7-9H,5-6,15H2,1-4H3,(H,16,17);1H/t9-;/m1./s1
InChIKeyZSWNVBVVPNZQQY-SBSPUUFOSA-N
MW318.80 g/mol
LogP1.14
Rot. Bonds7

About (2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride

(2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride (PubChem CID 119320832) has the molecular formula C14H23ClN2O4 and a molecular weight of 318.80 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
PubChem CID119320832
Molecular FormulaC14H23ClN2O4
Molecular Weight318.80 g/mol
Exact Mass318.13
IUPAC Name(2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCOc1cc(OC)c(CCNC(=O)[C@@H](C)N)c(OC)c1.Cl
InChIInChI=1S/C14H22N2O4.ClH/c1-9(15)14(17)16-6-5-11-12(19-3)7-10(18-2)8-13(11)20-4;/h7-9H,5-6,15H2,1-4H3,(H,16,17);1H/t9-;/m1./s1
InChIKeyZSWNVBVVPNZQQY-SBSPUUFOSA-N
XLogP1.14
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119320830
3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119778880
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119320840
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
(2S)-2-amino-3,3-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119733862
(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318455
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride
CID 119288877
2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
CID 111835555
4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide
CID 119778871
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 94686299

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride (CID 119320832) is (2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride is COc1cc(OC)c(CCNC(=O)[C@@H](C)N)c(OC)c1.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride?
The InChIKey is ZSWNVBVVPNZQQY-SBSPUUFOSA-N. The full InChI is InChI=1S/C14H22N2O4.ClH/c1-9(15)14(17)16-6-5-11-12(19-3)7-10(18-2)8-13(11)20-4;/h7-9H,5-6,15H2,1-4H3,(H,16,17);1H/t9-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride has a molecular weight of 318.80 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119320832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).