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

C16H24N2O2 — CID 97223869

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 Name1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
PubChem CID97223869
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[(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
XLogP2.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94035272
N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide
CID 110010083
3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride
CID 120502353
1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 119345267
(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride
CID 119821689
2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide
CID 75499278
3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea
CID 110013379
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
1-benzyl-3-butan-2-ylurea
CID 10512480
2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977084
1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 71920840
(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119345260

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).