3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea

C15H22N4O2 — CID 119633495

IUPAC3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cccc(C(=O)N2CCCC2CN)c1
InChIInChI=1S/C15H22N4O2/c1-18(2)15(21)17-12-6-3-5-11(9-12)14(20)19-8-4-7-13(19)10-16/h3,5-6,9,13H,4,7-8,10,16H2,1-2H3,(H,17,21)
InChIKeyMJESRYRAZMMOKE-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.34
Rot. Bonds3

About 3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea

3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea (PubChem CID 119633495) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea
PubChem CID119633495
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cccc(C(=O)N2CCCC2CN)c1
InChIInChI=1S/C15H22N4O2/c1-18(2)15(21)17-12-6-3-5-11(9-12)14(20)19-8-4-7-13(19)10-16/h3,5-6,9,13H,4,7-8,10,16H2,1-2H3,(H,17,21)
InChIKeyMJESRYRAZMMOKE-UHFFFAOYSA-N
XLogP1.34
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 66262101
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride
CID 119634691
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119632815
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride
CID 119412176
3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119468634
N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481452
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119633746
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 95152061
N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119631600
N-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119467754

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea (CID 119633495) is 3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea is CN(C)C(=O)Nc1cccc(C(=O)N2CCCC2CN)c1.
What is the InChIKey of 3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea?
The InChIKey is MJESRYRAZMMOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18(2)15(21)17-12-6-3-5-11(9-12)14(20)19-8-4-7-13(19)10-16/h3,5-6,9,13H,4,7-8,10,16H2,1-2H3,(H,17,21).
What are the key properties of 3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea?
3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea has a molecular weight of 290.37 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea is sourced from PubChem (CID 119633495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).