1-[(1S)-1-cyclopropyl-2-phenylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea

C17H24N2O2 — CID 97215345

IUPAC1-[(1S)-1-cyclopropyl-2-phenylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESO=C(NCC1(O)CCC1)N[C@@H](Cc1ccccc1)C1CC1
InChIInChI=1S/C17H24N2O2/c20-16(18-12-17(21)9-4-10-17)19-15(14-7-8-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-15,21H,4,7-12H2,(H2,18,19,20)/t15-/m0/s1
InChIKeyLRJWWOBZCJXEDR-HNNXBMFYSA-N
MW288.39 g/mol
LogP2.22
Rot. Bonds6

About 1-[(1S)-1-cyclopropyl-2-phenylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea

1-[(1S)-1-cyclopropyl-2-phenylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 97215345) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropyl-2-phenylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropyl-2-phenylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID97215345
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[(1S)-1-cyclopropyl-2-phenylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESO=C(NCC1(O)CCC1)N[C@@H](Cc1ccccc1)C1CC1
InChIInChI=1S/C17H24N2O2/c20-16(18-12-17(21)9-4-10-17)19-15(14-7-8-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-15,21H,4,7-12H2,(H2,18,19,20)/t15-/m0/s1
InChIKeyLRJWWOBZCJXEDR-HNNXBMFYSA-N
XLogP2.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropyl-2-phenylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-[(1S)-1-cyclopropyl-2-phenylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea (CID 97215345) is 1-[(1S)-1-cyclopropyl-2-phenylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-[(1S)-1-cyclopropyl-2-phenylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-[(1S)-1-cyclopropyl-2-phenylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea is O=C(NCC1(O)CCC1)N[C@@H](Cc1ccccc1)C1CC1.
What is the InChIKey of 1-[(1S)-1-cyclopropyl-2-phenylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is LRJWWOBZCJXEDR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-16(18-12-17(21)9-4-10-17)19-15(14-7-8-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-15,21H,4,7-12H2,(H2,18,19,20)/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopropyl-2-phenylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
1-[(1S)-1-cyclopropyl-2-phenylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 288.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropyl-2-phenylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 97215345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).