1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea

C19H23N3O2 — CID 75475746

IUPAC1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
SMILESCN(CCN1CCCC1=O)C(=O)NCc1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O2/c1-21(11-12-22-10-4-7-18(22)23)19(24)20-14-15-8-9-16-5-2-3-6-17(16)13-15/h2-3,5-6,8-9,13H,4,7,10-12,14H2,1H3,(H,20,24)
InChIKeyVUHFRVWVNONSCM-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.60
Rot. Bonds5

About 1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea

1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea (PubChem CID 75475746) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
PubChem CID75475746
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
SMILESCN(CCN1CCCC1=O)C(=O)NCc1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O2/c1-21(11-12-22-10-4-7-18(22)23)19(24)20-14-15-8-9-16-5-2-3-6-17(16)13-15/h2-3,5-6,8-9,13H,4,7,10-12,14H2,1H3,(H,20,24)
InChIKeyVUHFRVWVNONSCM-UHFFFAOYSA-N
XLogP2.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 153346628
3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea
CID 34711127
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 91767042
N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide
CID 166259536
3-(4-fluoro-3-methoxyphenyl)-1-methyl-1-[2-(2-oxopiperidin-1-yl)ethyl]urea
CID 72899838
N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111335
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
1-methyl-1-[2-(2-oxopiperidin-1-yl)ethyl]-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]urea;hydrochloride
CID 154901074
N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9325430
2-[methyl(naphthalen-2-ylmethyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8615045
N-[2-(7-methoxynaphthalen-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 19021896
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea (CID 75475746) is 1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea is CN(CCN1CCCC1=O)C(=O)NCc1ccc2ccccc2c1.
What is the InChIKey of 1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea?
The InChIKey is VUHFRVWVNONSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21(11-12-22-10-4-7-18(22)23)19(24)20-14-15-8-9-16-5-2-3-6-17(16)13-15/h2-3,5-6,8-9,13H,4,7,10-12,14H2,1H3,(H,20,24).
What are the key properties of 1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea?
1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea has a molecular weight of 325.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea is sourced from PubChem (CID 75475746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).