1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea

C19H31N3O2 — CID 111336789

IUPAC1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)Nc1ccccc1CN(C)C1CCCCC1
InChIInChI=1S/C19H31N3O2/c1-15(23)12-13-20-19(24)21-18-11-7-6-8-16(18)14-22(2)17-9-4-3-5-10-17/h6-8,11,15,17,23H,3-5,9-10,12-14H2,1-2H3,(H2,20,21,24)
InChIKeyBDWIYAFPPVYMFA-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.34
Rot. Bonds7

About 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea

1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea (PubChem CID 111336789) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea
PubChem CID111336789
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)Nc1ccccc1CN(C)C1CCCCC1
InChIInChI=1S/C19H31N3O2/c1-15(23)12-13-20-19(24)21-18-11-7-6-8-16(18)14-22(2)17-9-4-3-5-10-17/h6-8,11,15,17,23H,3-5,9-10,12-14H2,1-2H3,(H2,20,21,24)
InChIKeyBDWIYAFPPVYMFA-UHFFFAOYSA-N
XLogP3.34
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea with MolForge

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Related Compounds

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide
CID 42940630
1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[(2S)-2-imidazol-1-ylpropyl]urea
CID 97276245
1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea
CID 72935982
1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea
CID 111336974
1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336885
cis-(1S,2R)-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 166254818
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 97088995
3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
CID 55816833
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432249
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 51307622
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide
CID 46554715

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea (CID 111336789) is 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)Nc1ccccc1CN(C)C1CCCCC1.
What is the InChIKey of 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea?
The InChIKey is BDWIYAFPPVYMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15(23)12-13-20-19(24)21-18-11-7-6-8-16(18)14-22(2)17-9-4-3-5-10-17/h6-8,11,15,17,23H,3-5,9-10,12-14H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea?
1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea has a molecular weight of 333.48 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111336789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).