1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea

C20H31N3O2 — CID 111438810

IUPAC1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
SMILESCC(NC1(CNC(=O)NCC2(O)CCC2)CCCC1)c1ccccc1
InChIInChI=1S/C20H31N3O2/c1-16(17-8-3-2-4-9-17)23-19(10-5-6-11-19)14-21-18(24)22-15-20(25)12-7-13-20/h2-4,8-9,16,23,25H,5-7,10-15H2,1H3,(H2,21,22,24)
InChIKeyORBZQEUDEGJCQS-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.86
Rot. Bonds7

About 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea

1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea (PubChem CID 111438810) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
PubChem CID111438810
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
SMILESCC(NC1(CNC(=O)NCC2(O)CCC2)CCCC1)c1ccccc1
InChIInChI=1S/C20H31N3O2/c1-16(17-8-3-2-4-9-17)23-19(10-5-6-11-19)14-21-18(24)22-15-20(25)12-7-13-20/h2-4,8-9,16,23,25H,5-7,10-15H2,1H3,(H2,21,22,24)
InChIKeyORBZQEUDEGJCQS-UHFFFAOYSA-N
XLogP2.86
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea with MolForge

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide
CID 124625809
4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide
CID 119884570
N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride
CID 119884525
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide
CID 115643598
3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide
CID 120613142
N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]methanesulfonamide
CID 95331020
(2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide
CID 95618458
1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103914
1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 97215316
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea
CID 111437945

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea (CID 111438810) is 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea is CC(NC1(CNC(=O)NCC2(O)CCC2)CCCC1)c1ccccc1.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea?
The InChIKey is ORBZQEUDEGJCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16(17-8-3-2-4-9-17)23-19(10-5-6-11-19)14-21-18(24)22-15-20(25)12-7-13-20/h2-4,8-9,16,23,25H,5-7,10-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea?
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea has a molecular weight of 345.49 g/mol, XLogP of 2.86, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea is sourced from PubChem (CID 111438810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).