1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea

Name: 1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₄N₂O₂ — CID 97223869

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea

SMILESC[C@@H](CO)NC(=O)NCC1(Cc2ccccc2)CCC1

InChIInChI=1S/C16H24N2O2/c1-13(11-19)18-15(20)17-12-16(8-5-9-16)10-14-6-3-2-4-7-14/h2-4,6-7,13,19H,5,8-12H2,1H3,(H2,17,18,20)/t13-/m0/s1

InChIKeyZAMKEVVHDZPBAI-ZDUSSCGKSA-N

MW276.38 g/mol

LogP2.08

Rot. Bonds6

About 1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea

1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea (PubChem CID 97223869) has the molecular formula C₁₆H₂₄N₂O₂ and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea.

Molecular Properties

Compound Name	1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
PubChem CID	97223869
Molecular Formula	C₁₆H₂₄N₂O₂
Molecular Weight	276.38 g/mol
Exact Mass	276.18
IUPAC Name	1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
SMILES	C[C@@H](CO)NC(=O)NCC1(Cc2ccccc2)CCC1
InChI	InChI=1S/C16H24N2O2/c1-13(11-19)18-15(20)17-12-16(8-5-9-16)10-14-6-3-2-4-7-14/h2-4,6-7,13,19H,5,8-12H2,1H3,(H2,17,18,20)/t13-/m0/s1
InChIKey	ZAMKEVVHDZPBAI-ZDUSSCGKSA-N
XLogP	2.08
TPSA	61.36 Å²
H-Bond Donors	3
H-Bond Acceptors	2
Rotatable Bonds	6
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.38
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea?

The IUPAC name of 1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea (CID 97223869) is 1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea.

What is the SMILES notation for 1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea?

The canonical SMILES for 1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea is C[C@@H](CO)NC(=O)NCC1(Cc2ccccc2)CCC1.

What is the InChIKey of 1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea?

The InChIKey is ZAMKEVVHDZPBAI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(11-19)18-15(20)17-12-16(8-5-9-16)10-14-6-3-2-4-7-14/h2-4,6-7,13,19H,5,8-12H2,1H3,(H2,17,18,20)/t13-/m0/s1.

What are the key properties of 1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea?

1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea has a molecular weight of 276.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea is sourced from PubChem (CID 97223869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 97223869 — identifiers, structure, computed properties (public domain)

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