(2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride

C16H24ClN3O4 — CID 119283072

IUPAC(2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
SMILESCOc1cc(NC(=O)[C@H](C)N)c(C(=O)N2CCCC2)cc1OC.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-10(17)15(20)18-12-9-14(23-3)13(22-2)8-11(12)16(21)19-6-4-5-7-19;/h8-10H,4-7,17H2,1-3H3,(H,18,20);1H/t10-;/m0./s1
InChIKeyOGZLEETVLBOXAP-PPHPATTJSA-N
MW357.84 g/mol
LogP1.65
Rot. Bonds5

About (2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride

(2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride (PubChem CID 119283072) has the molecular formula C16H24ClN3O4 and a molecular weight of 357.84 g/mol. Its IUPAC name is (2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
PubChem CID119283072
Molecular FormulaC16H24ClN3O4
Molecular Weight357.84 g/mol
Exact Mass357.15
IUPAC Name(2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
SMILESCOc1cc(NC(=O)[C@H](C)N)c(C(=O)N2CCCC2)cc1OC.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-10(17)15(20)18-12-9-14(23-3)13(22-2)8-11(12)16(21)19-6-4-5-7-19;/h8-10H,4-7,17H2,1-3H3,(H,18,20);1H/t10-;/m0./s1
InChIKeyOGZLEETVLBOXAP-PPHPATTJSA-N
XLogP1.65
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 48658025
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 166406023
4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119283056
4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide
CID 120588220
2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119711968
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119711915
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55761058
(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 54996224
5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120620884
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
CID 55639792
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55639759
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methyl-3-nitrobenzamide
CID 55639880

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride (CID 119283072) is (2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride is COc1cc(NC(=O)[C@H](C)N)c(C(=O)N2CCCC2)cc1OC.Cl.
What is the InChIKey of (2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The InChIKey is OGZLEETVLBOXAP-PPHPATTJSA-N. The full InChI is InChI=1S/C16H23N3O4.ClH/c1-10(17)15(20)18-12-9-14(23-3)13(22-2)8-11(12)16(21)19-6-4-5-7-19;/h8-10H,4-7,17H2,1-3H3,(H,18,20);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride has a molecular weight of 357.84 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119283072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).