[4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea

C16H26N4O — CID 79538316

IUPAC[4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea
SMILESCC(CC1CCCN1)NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H26N4O/c1-11(10-15-4-3-9-18-15)19-12(2)13-5-7-14(8-6-13)20-16(17)21/h5-8,11-12,15,18-19H,3-4,9-10H2,1-2H3,(H3,17,20,21)
InChIKeyLSOZERAJLYQWSK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.36
Rot. Bonds6

About [4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea

[4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea (PubChem CID 79538316) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea
PubChem CID79538316
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea
SMILESCC(CC1CCCN1)NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H26N4O/c1-11(10-15-4-3-9-18-15)19-12(2)13-5-7-14(8-6-13)20-16(17)21/h5-8,11-12,15,18-19H,3-4,9-10H2,1-2H3,(H3,17,20,21)
InChIKeyLSOZERAJLYQWSK-UHFFFAOYSA-N
XLogP2.36
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81352833
N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541259
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81371157
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 81348101
1-(azepan-2-yl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 79560959
[4-(pyrrolidin-2-ylmethylamino)phenyl]urea
CID 106637716
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229
1-piperidin-2-yl-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 81405627
2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537703
[4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea
CID 65312424
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
[4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea
CID 80554120

Frequently Asked Questions

What is the IUPAC name of [4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea?
The IUPAC name of [4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea (CID 79538316) is [4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea?
The canonical SMILES for [4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea is CC(CC1CCCN1)NC(C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea?
The InChIKey is LSOZERAJLYQWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11(10-15-4-3-9-18-15)19-12(2)13-5-7-14(8-6-13)20-16(17)21/h5-8,11-12,15,18-19H,3-4,9-10H2,1-2H3,(H3,17,20,21).
What are the key properties of [4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea?
[4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea has a molecular weight of 290.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1-pyrrolidin-2-ylpropan-2-ylamino)ethyl]phenyl]urea is sourced from PubChem (CID 79538316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).