1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidine-2-carboxamide

C16H25N3O2 — CID 80724069

IUPAC1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC(C)Oc1cc(N)cc(N2CCCC2C(=O)N(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-11(2)21-14-9-12(17)8-13(10-14)19-7-5-6-15(19)16(20)18(3)4/h8-11,15H,5-7,17H2,1-4H3
InChIKeyJNFRKJIBJFNPGX-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.11
Rot. Bonds4

About 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 80724069) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID80724069
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC(C)Oc1cc(N)cc(N2CCCC2C(=O)N(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-11(2)21-14-9-12(17)8-13(10-14)19-7-5-6-15(19)16(20)18(3)4/h8-11,15H,5-7,17H2,1-4H3
InChIKeyJNFRKJIBJFNPGX-UHFFFAOYSA-N
XLogP2.11
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 80724069) is 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidine-2-carboxamide is CC(C)Oc1cc(N)cc(N2CCCC2C(=O)N(C)C)c1.
What is the InChIKey of 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is JNFRKJIBJFNPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)21-14-9-12(17)8-13(10-14)19-7-5-6-15(19)16(20)18(3)4/h8-11,15H,5-7,17H2,1-4H3.
What are the key properties of 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 80724069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).