1-benzyl-3-(3-hydroxybutyl)urea

C12H18N2O2 — CID 103670110

IUPAC1-benzyl-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NCc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-10(15)7-8-13-12(16)14-9-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3,(H2,13,14,16)
InChIKeyFWFNLXRMQAINIT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.26
Rot. Bonds5

About 1-benzyl-3-(3-hydroxybutyl)urea

1-benzyl-3-(3-hydroxybutyl)urea (PubChem CID 103670110) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-benzyl-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(3-hydroxybutyl)urea
PubChem CID103670110
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-benzyl-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NCc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-10(15)7-8-13-12(16)14-9-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3,(H2,13,14,16)
InChIKeyFWFNLXRMQAINIT-UHFFFAOYSA-N
XLogP1.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111337141
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea
CID 95984730
1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea
CID 111337415
1-benzyl-3-(3-hydroxy-4-methoxybutyl)urea
CID 103875504
1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111337159
1-(3-amino-4-methoxybutyl)-3-benzylurea
CID 106243722
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
1-benzyl-3-[2-(methylamino)ethyl]urea;hydrochloride
CID 155817741
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
3-hydroxybutyl N-benzylcarbamate
CID 142744474

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-benzyl-3-(3-hydroxybutyl)urea (CID 103670110) is 1-benzyl-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-benzyl-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-benzyl-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(3-hydroxybutyl)urea?
The InChIKey is FWFNLXRMQAINIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10(15)7-8-13-12(16)14-9-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3,(H2,13,14,16).
What are the key properties of 1-benzyl-3-(3-hydroxybutyl)urea?
1-benzyl-3-(3-hydroxybutyl)urea has a molecular weight of 222.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 103670110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).