[4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea

C13H20N4O — CID 79731111

IUPAC[4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea
SMILESCC(NC1CCNC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H20N4O/c1-9(16-12-6-7-15-8-12)10-2-4-11(5-3-10)17-13(14)18/h2-5,9,12,15-16H,6-8H2,1H3,(H3,14,17,18)
InChIKeyFJEDMZIBZGHFKX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.19
Rot. Bonds4

About [4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea

[4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea (PubChem CID 79731111) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea
PubChem CID79731111
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea
SMILESCC(NC1CCNC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H20N4O/c1-9(16-12-6-7-15-8-12)10-2-4-11(5-3-10)17-13(14)18/h2-5,9,12,15-16H,6-8H2,1H3,(H3,14,17,18)
InChIKeyFJEDMZIBZGHFKX-UHFFFAOYSA-N
XLogP1.19
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea
CID 80554120
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81349453
(3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide
CID 81118919
N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 79725299
N-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 79741892
[4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea
CID 62093224
[4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea
CID 103904097
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide
CID 119721978
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240
[4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea
CID 43792627
[4-[1-[(3-phenylsulfanylcyclobutyl)amino]ethyl]phenyl]urea
CID 167826541
N-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 79724749

Frequently Asked Questions

What is the IUPAC name of [4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea?
The IUPAC name of [4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea (CID 79731111) is [4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea?
The canonical SMILES for [4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea is CC(NC1CCNC1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea?
The InChIKey is FJEDMZIBZGHFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(16-12-6-7-15-8-12)10-2-4-11(5-3-10)17-13(14)18/h2-5,9,12,15-16H,6-8H2,1H3,(H3,14,17,18).
What are the key properties of [4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea?
[4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea has a molecular weight of 248.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea is sourced from PubChem (CID 79731111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).