1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea

C18H29N3O2 — CID 111438029

IUPAC1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCCN(CC)Cc1ccccc1CNC(=O)NCC1(O)CCC1
InChIInChI=1S/C18H29N3O2/c1-3-21(4-2)13-16-9-6-5-8-15(16)12-19-17(22)20-14-18(23)10-7-11-18/h5-6,8-9,23H,3-4,7,10-14H2,1-2H3,(H2,19,20,22)
InChIKeyFPQSFWPTZFGQLU-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.24
Rot. Bonds8

About 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea

1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 111438029) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID111438029
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCCN(CC)Cc1ccccc1CNC(=O)NCC1(O)CCC1
InChIInChI=1S/C18H29N3O2/c1-3-21(4-2)13-16-9-6-5-8-15(16)12-19-17(22)20-14-18(23)10-7-11-18/h5-6,8-9,23H,3-4,7,10-14H2,1-2H3,(H2,19,20,22)
InChIKeyFPQSFWPTZFGQLU-UHFFFAOYSA-N
XLogP2.24
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81171767
1-[(1-hydroxycyclohexyl)methyl]-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]urea
CID 110936545
1-[(1-hydroxycyclobutyl)methyl]-3-[[2-(propoxymethyl)phenyl]methyl]urea
CID 111438310
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119836037
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836114
N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056882
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 55931991
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013782
2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 43346662
1-[[[N-[[2-(diethylaminomethyl)phenyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111569495

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea (CID 111438029) is 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea is CCN(CC)Cc1ccccc1CNC(=O)NCC1(O)CCC1.
What is the InChIKey of 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is FPQSFWPTZFGQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-21(4-2)13-16-9-6-5-8-15(16)12-19-17(22)20-14-18(23)10-7-11-18/h5-6,8-9,23H,3-4,7,10-14H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 319.45 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 111438029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).