1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea

C22H31N3O — CID 70411925

IUPAC1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea
SMILESCCCCC(NCCc1ccccc1)c1cccc(NC(=O)NCC)c1
InChIInChI=1S/C22H31N3O/c1-3-5-14-21(24-16-15-18-10-7-6-8-11-18)19-12-9-13-20(17-19)25-22(26)23-4-2/h6-13,17,21,24H,3-5,14-16H2,1-2H3,(H2,23,25,26)
InChIKeyWRAIXXRPQWLBGS-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.89
Rot. Bonds10

About 1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea

1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea (PubChem CID 70411925) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea
PubChem CID70411925
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea
SMILESCCCCC(NCCc1ccccc1)c1cccc(NC(=O)NCC)c1
InChIInChI=1S/C22H31N3O/c1-3-5-14-21(24-16-15-18-10-7-6-8-11-18)19-12-9-13-20(17-19)25-22(26)23-4-2/h6-13,17,21,24H,3-5,14-16H2,1-2H3,(H2,23,25,26)
InChIKeyWRAIXXRPQWLBGS-UHFFFAOYSA-N
XLogP4.89
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide
CID 70412384
1-[2-hydroxy-5-[1-(2-phenylethylamino)pentyl]phenyl]-3-methylurea
CID 70411591
1-[3-(1-hydroxyethyl)phenyl]-3-(2-phenylethyl)urea
CID 61347620
1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea
CID 88645096
N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide
CID 70412672
N-[3-anilino-3-(3-butylphenyl)propyl]benzamide
CID 20505007
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline
CID 70412352
1-phenyl-3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]pentyl]urea
CID 88645298
N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine
CID 63477461
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542
methyl 2-(2-phenylethylamino)hexanoate
CID 103868302

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea?
The IUPAC name of 1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea (CID 70411925) is 1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea?
The canonical SMILES for 1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea is CCCCC(NCCc1ccccc1)c1cccc(NC(=O)NCC)c1.
What is the InChIKey of 1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea?
The InChIKey is WRAIXXRPQWLBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-3-5-14-21(24-16-15-18-10-7-6-8-11-18)19-12-9-13-20(17-19)25-22(26)23-4-2/h6-13,17,21,24H,3-5,14-16H2,1-2H3,(H2,23,25,26).
What are the key properties of 1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea?
1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea has a molecular weight of 353.51 g/mol, XLogP of 4.89, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea is sourced from PubChem (CID 70411925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).