1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea

C14H21N3O — CID 106911506

IUPAC1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea
SMILESCNCc1ccc(NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C14H21N3O/c1-15-10-11-6-8-13(9-7-11)17-14(18)16-12-4-2-3-5-12/h6-9,12,15H,2-5,10H2,1H3,(H2,16,17,18)
InChIKeyUQLDFZFXYMLXMO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.47
Rot. Bonds4

About 1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea

1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea (PubChem CID 106911506) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea
PubChem CID106911506
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea
SMILESCNCc1ccc(NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C14H21N3O/c1-15-10-11-6-8-13(9-7-11)17-14(18)16-12-4-2-3-5-12/h6-9,12,15H,2-5,10H2,1H3,(H2,16,17,18)
InChIKeyUQLDFZFXYMLXMO-UHFFFAOYSA-N
XLogP2.47
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[4-(hydroxymethyl)phenyl]urea
CID 64793584
N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide
CID 106909905
1-cyclohexyl-3-(4-cyclopentylphenyl)urea
CID 170179753
1-cyclohexyl-3-(4-hexylphenyl)urea
CID 4231179
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
1-cyclododecyl-3-[4-(methanesulfonamido)phenyl]urea
CID 108875238
1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47033897

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea?
The IUPAC name of 1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea (CID 106911506) is 1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea is CNCc1ccc(NC(=O)NC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea?
The InChIKey is UQLDFZFXYMLXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-15-10-11-6-8-13(9-7-11)17-14(18)16-12-4-2-3-5-12/h6-9,12,15H,2-5,10H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea?
1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea has a molecular weight of 247.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea is sourced from PubChem (CID 106911506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).