N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide

C13H18N4O2 — CID 61364636

IUPACN-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESNC(=O)Nc1cccc(NC(=O)CC2CCCN2)c1
InChIInChI=1S/C13H18N4O2/c14-13(19)17-11-4-1-3-10(7-11)16-12(18)8-9-5-2-6-15-9/h1,3-4,7,9,15H,2,5-6,8H2,(H,16,18)(H3,14,17,19)
InChIKeyFXEWUYOGIUVMPT-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.26
Rot. Bonds4

About N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide

N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 61364636) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
PubChem CID61364636
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESNC(=O)Nc1cccc(NC(=O)CC2CCCN2)c1
InChIInChI=1S/C13H18N4O2/c14-13(19)17-11-4-1-3-10(7-11)16-12(18)8-9-5-2-6-15-9/h1,3-4,7,9,15H,2,5-6,8H2,(H,16,18)(H3,14,17,19)
InChIKeyFXEWUYOGIUVMPT-UHFFFAOYSA-N
XLogP1.26
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
CID 61366011
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61372360
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61365428
N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119673254
N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363868
2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61366397
N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 61364037
N-[3-(2-fluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809010
2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride
CID 119819406

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide (CID 61364636) is N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide is NC(=O)Nc1cccc(NC(=O)CC2CCCN2)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is FXEWUYOGIUVMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-13(19)17-11-4-1-3-10(7-11)16-12(18)8-9-5-2-6-15-9/h1,3-4,7,9,15H,2,5-6,8H2,(H,16,18)(H3,14,17,19).
What are the key properties of N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide?
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 262.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61364636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).