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

C23H33N3O2 — CID 55931991

IUPAC1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
SMILESCCN(CC)Cc1ccccc1CNC(=O)NCc1ccccc1OC(C)C
InChIInChI=1S/C23H33N3O2/c1-5-26(6-2)17-21-13-8-7-11-19(21)15-24-23(27)25-16-20-12-9-10-14-22(20)28-18(3)4/h7-14,18H,5-6,15-17H2,1-4H3,(H2,24,25,27)
InChIKeyKUEFHFOYRHCXBG-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.32
Rot. Bonds10

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

1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea (PubChem CID 55931991) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
PubChem CID55931991
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
SMILESCCN(CC)Cc1ccccc1CNC(=O)NCc1ccccc1OC(C)C
InChIInChI=1S/C23H33N3O2/c1-5-26(6-2)17-21-13-8-7-11-19(21)15-24-23(27)25-16-20-12-9-10-14-22(20)28-18(3)4/h7-14,18H,5-6,15-17H2,1-4H3,(H2,24,25,27)
InChIKeyKUEFHFOYRHCXBG-UHFFFAOYSA-N
XLogP4.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 43346662
2-[ethyl(methyl)amino]-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]acetamide
CID 56521548
3-[[2-(diethylaminomethyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 114897128
4-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide
CID 80542266
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
(2S)-2-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbutanamide
CID 61259162
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438029
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056882
N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144882
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide
CID 60676604
(2S)-2-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119836094

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea (CID 55931991) is 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea is CCN(CC)Cc1ccccc1CNC(=O)NCc1ccccc1OC(C)C.
What is the InChIKey of 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea?
The InChIKey is KUEFHFOYRHCXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-5-26(6-2)17-21-13-8-7-11-19(21)15-24-23(27)25-16-20-12-9-10-14-22(20)28-18(3)4/h7-14,18H,5-6,15-17H2,1-4H3,(H2,24,25,27).
What are the key properties of 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea?
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea has a molecular weight of 383.54 g/mol, XLogP of 4.32, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 55931991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).