4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride

C16H24ClN3O3 — CID 119307355

IUPAC4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)CCCN.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-22-14-7-6-12(16(21)19-9-2-3-10-19)11-13(14)18-15(20)5-4-8-17;/h6-7,11H,2-5,8-10,17H2,1H3,(H,18,20);1H
InChIKeyYQXTUXQKOCZPCH-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.03
Rot. Bonds6

About 4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride

4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride (PubChem CID 119307355) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
PubChem CID119307355
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)CCCN.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-22-14-7-6-12(16(21)19-9-2-3-10-19)11-13(14)18-15(20)5-4-8-17;/h6-7,11H,2-5,8-10,17H2,1H3,(H,18,20);1H
InChIKeyYQXTUXQKOCZPCH-UHFFFAOYSA-N
XLogP2.03
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119866731
4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 71926356
4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119283056
2-(4-aminophenyl)-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]acetamide
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CID 119866737
3-(7-aminoheptanoylamino)-4-methoxybenzoic acid
CID 63743950
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
ethyl 4-(3-acetamido-4-methoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110809030
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
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N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide
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N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride
CID 120594111

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride (CID 119307355) is 4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride is COc1ccc(C(=O)N2CCCC2)cc1NC(=O)CCCN.Cl.
What is the InChIKey of 4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride?
The InChIKey is YQXTUXQKOCZPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-22-14-7-6-12(16(21)19-9-2-3-10-19)11-13(14)18-15(20)5-4-8-17;/h6-7,11H,2-5,8-10,17H2,1H3,(H,18,20);1H.
What are the key properties of 4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride?
4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119307355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).