1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea

C17H21N3O — CID 106613136

IUPAC1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea
SMILESCN(CC1CCCN1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H21N3O/c1-20(12-14-8-5-11-18-14)17(21)19-16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14,18H,5,8,11-12H2,1H3,(H,19,21)
InChIKeyRYXWZMCEWJFTOP-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.06
Rot. Bonds3

About 1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea

1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea (PubChem CID 106613136) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea
PubChem CID106613136
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea
SMILESCN(CC1CCCN1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H21N3O/c1-20(12-14-8-5-11-18-14)17(21)19-16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14,18H,5,8,11-12H2,1H3,(H,19,21)
InChIKeyRYXWZMCEWJFTOP-UHFFFAOYSA-N
XLogP3.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629819
3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629815
3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629798
2-ethyl-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607295
3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea
CID 43187196
1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methyl-3-naphthalen-1-ylurea
CID 90635907
2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106607724
N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 106607449
1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea
CID 106629687
N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide
CID 106607568
3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea
CID 106613441

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea (CID 106613136) is 1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea is CN(CC1CCCN1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is RYXWZMCEWJFTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(12-14-8-5-11-18-14)17(21)19-16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14,18H,5,8,11-12H2,1H3,(H,19,21).
What are the key properties of 1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea?
1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 283.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea is sourced from PubChem (CID 106613136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).