4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride

C17H29Cl2N3O2 — CID 119889617

IUPAC4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride
SMILESCc1cc(NC(=O)CCCN)ccc1OCCN1CCCC1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-14-13-15(19-17(21)5-4-8-18)6-7-16(14)22-12-11-20-9-2-3-10-20;;/h6-7,13H,2-5,8-12,18H2,1H3,(H,19,21);2*1H
InChIKeyVQEURKFFQCUOAP-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.99
Rot. Bonds8

About 4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride

4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride (PubChem CID 119889617) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is 4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride
PubChem CID119889617
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC Name4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride
SMILESCc1cc(NC(=O)CCCN)ccc1OCCN1CCCC1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-14-13-15(19-17(21)5-4-8-18)6-7-16(14)22-12-11-20-9-2-3-10-20;;/h6-7,13H,2-5,8-12,18H2,1H3,(H,19,21);2*1H
InChIKeyVQEURKFFQCUOAP-UHFFFAOYSA-N
XLogP2.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889581
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119889613
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119889619
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942278
2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119889603
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride
CID 119332237
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
(2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride
CID 120942024
1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine
CID 2263109
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride (CID 119889617) is 4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride is Cc1cc(NC(=O)CCCN)ccc1OCCN1CCCC1.Cl.Cl.
What is the InChIKey of 4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride?
The InChIKey is VQEURKFFQCUOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-14-13-15(19-17(21)5-4-8-18)6-7-16(14)22-12-11-20-9-2-3-10-20;;/h6-7,13H,2-5,8-12,18H2,1H3,(H,19,21);2*1H.
What are the key properties of 4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride?
4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride is sourced from PubChem (CID 119889617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).