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

C16H25N3O — CID 43712468

IUPACN-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)Cc1ccccc1NC(=O)C1CCCN1
InChIInChI=1S/C16H25N3O/c1-3-19(4-2)12-13-8-5-6-9-14(13)18-16(20)15-10-7-11-17-15/h5-6,8-9,15,17H,3-4,7,10-12H2,1-2H3,(H,18,20)
InChIKeyBFNWNNJQUFDOJP-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.22
Rot. Bonds6

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

N-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 43712468) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID43712468
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)Cc1ccccc1NC(=O)C1CCCN1
InChIInChI=1S/C16H25N3O/c1-3-19(4-2)12-13-8-5-6-9-14(13)18-16(20)15-10-7-11-17-15/h5-6,8-9,15,17H,3-4,7,10-12H2,1-2H3,(H,18,20)
InChIKeyBFNWNNJQUFDOJP-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

(2R)-N-[2-[(dimethylamino)methyl]phenyl]piperidine-2-carboxamide
CID 104912781
N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60717846
N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43712493
N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43710720
2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid
CID 62534786
N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 67513883
(2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 61179637
N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64563598
2-[2-(azepane-2-carbonylamino)phenyl]acetic acid
CID 64568355
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide
CID 64563986
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide (CID 43712468) is N-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide is CCN(CC)Cc1ccccc1NC(=O)C1CCCN1.
What is the InChIKey of N-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is BFNWNNJQUFDOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-19(4-2)12-13-8-5-6-9-14(13)18-16(20)15-10-7-11-17-15/h5-6,8-9,15,17H,3-4,7,10-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide?
N-[2-(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-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43712468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).