1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea

C22H25N3O2 — CID 60603780

IUPAC1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)Nc2ccccc2N(C)Cc2ccccc2)o1
InChIInChI=1S/C22H25N3O2/c1-16-13-14-21(27-16)17(2)23-22(26)24-19-11-7-8-12-20(19)25(3)15-18-9-5-4-6-10-18/h4-14,17H,15H2,1-3H3,(H2,23,24,26)
InChIKeyAFXCYNRYRODKAW-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.11
Rot. Bonds6

About 1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea

1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (PubChem CID 60603780) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
PubChem CID60603780
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)Nc2ccccc2N(C)Cc2ccccc2)o1
InChIInChI=1S/C22H25N3O2/c1-16-13-14-21(27-16)17(2)23-22(26)24-19-11-7-8-12-20(19)25(3)15-18-9-5-4-6-10-18/h4-14,17H,15H2,1-3H3,(H2,23,24,26)
InChIKeyAFXCYNRYRODKAW-UHFFFAOYSA-N
XLogP5.11
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119864866
1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437683
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
CID 61479193
4-[[2-[benzyl(methyl)amino]phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078232
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
CID 54958457
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
CID 110884058
3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid
CID 106760433
2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide
CID 51098899
N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 51314573
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94028479
2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 47025995
2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
CID 79803748

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The IUPAC name of 1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (CID 60603780) is 1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is Cc1ccc(C(C)NC(=O)Nc2ccccc2N(C)Cc2ccccc2)o1.
What is the InChIKey of 1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The InChIKey is AFXCYNRYRODKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-13-14-21(27-16)17(2)23-22(26)24-19-11-7-8-12-20(19)25(3)15-18-9-5-4-6-10-18/h4-14,17H,15H2,1-3H3,(H2,23,24,26).
What are the key properties of 1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea has a molecular weight of 363.46 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is sourced from PubChem (CID 60603780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).