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

C19H25N3O — CID 56739137

IUPAC1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea
SMILESCCNC(=O)NCC1CCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C19H25N3O/c1-2-20-19(23)21-12-15-10-11-22(13-15)14-17-8-5-7-16-6-3-4-9-18(16)17/h3-9,15H,2,10-14H2,1H3,(H2,20,21,23)
InChIKeyKMAOCIAICCIUIN-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.98
Rot. Bonds5

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

1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea (PubChem CID 56739137) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea
PubChem CID56739137
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea
SMILESCCNC(=O)NCC1CCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C19H25N3O/c1-2-20-19(23)21-12-15-10-11-22(13-15)14-17-8-5-7-16-6-3-4-9-18(16)17/h3-9,15H,2,10-14H2,1H3,(H2,20,21,23)
InChIKeyKMAOCIAICCIUIN-UHFFFAOYSA-N
XLogP2.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198921
1-ethyl-3-[[(3S)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198920
1-[[(3S)-1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea
CID 95226697
2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849804
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771
(3R)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 10823187
3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol
CID 114511208
N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95217230
1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea
CID 95203939
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea (CID 56739137) is 1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea is CCNC(=O)NCC1CCN(Cc2cccc3ccccc23)C1.
What is the InChIKey of 1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea?
The InChIKey is KMAOCIAICCIUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-20-19(23)21-12-15-10-11-22(13-15)14-17-8-5-7-16-6-3-4-9-18(16)17/h3-9,15H,2,10-14H2,1H3,(H2,20,21,23).
What are the key properties of 1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea?
1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea has a molecular weight of 311.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 56739137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).