N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide

C16H25N3O — CID 43433017

IUPACN-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C16H25N3O/c1-3-19(4-2)12-13-7-5-8-14(11-13)18-16(20)15-9-6-10-17-15/h5,7-8,11,15,17H,3-4,6,9-10,12H2,1-2H3,(H,18,20)
InChIKeyCFOUQAMIGRMYMG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.22
Rot. Bonds6

About N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide

N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 43433017) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID43433017
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C16H25N3O/c1-3-19(4-2)12-13-7-5-8-14(11-13)18-16(20)15-9-6-10-17-15/h5,7-8,11,15,17H,3-4,6,9-10,12H2,1-2H3,(H,18,20)
InChIKeyCFOUQAMIGRMYMG-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43711978
(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-3-carboxamide
CID 63005422
N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119847432
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269061
(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
CID 103808988
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide
CID 119327470
(2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 113297589
(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide (CID 43433017) is N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide is CCN(CC)Cc1cccc(NC(=O)C2CCCN2)c1.
What is the InChIKey of N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is CFOUQAMIGRMYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-19(4-2)12-13-7-5-8-14(11-13)18-16(20)15-9-6-10-17-15/h5,7-8,11,15,17H,3-4,6,9-10,12H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide?
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43433017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).