N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide

C14H21N3O — CID 61339985

IUPACN-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
SMILESCNC(C)c1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H21N3O/c1-11(15-2)12-5-7-13(8-6-12)16-14(18)17-9-3-4-10-17/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyRGMPBQZMIKHEBR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.59
Rot. Bonds3

About N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide

N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 61339985) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
PubChem CID61339985
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
SMILESCNC(C)c1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H21N3O/c1-11(15-2)12-5-7-13(8-6-12)16-14(18)17-9-3-4-10-17/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyRGMPBQZMIKHEBR-UHFFFAOYSA-N
XLogP2.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-(methylamino)ethyl]phenyl]morpholine-4-carboxamide
CID 61341444
3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
CID 102964223
N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide
CID 172895010
N-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 7369582
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[3-[1-(methylamino)ethyl]phenyl]-1,4-thiazepane-4-carboxamide
CID 61423384
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]azepane-1-carboxamide
CID 63627419
N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide
CID 63627417
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide (CID 61339985) is N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide is CNC(C)c1ccc(NC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is RGMPBQZMIKHEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(15-2)12-5-7-13(8-6-12)16-14(18)17-9-3-4-10-17/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide?
N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 61339985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).