1-ethyl-3-(naphthalen-2-ylmethylamino)urea

C14H17N3O — CID 87622350

IUPAC1-ethyl-3-(naphthalen-2-ylmethylamino)urea
SMILESCCNC(=O)NNCc1ccc2ccccc2c1
InChIInChI=1S/C14H17N3O/c1-2-15-14(18)17-16-10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9,16H,2,10H2,1H3,(H2,15,17,18)
InChIKeySNDJBZBUZRRUTQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.16
Rot. Bonds4

About 1-ethyl-3-(naphthalen-2-ylmethylamino)urea

1-ethyl-3-(naphthalen-2-ylmethylamino)urea (PubChem CID 87622350) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-ethyl-3-(naphthalen-2-ylmethylamino)urea.

Molecular Properties

Compound Name1-ethyl-3-(naphthalen-2-ylmethylamino)urea
PubChem CID87622350
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-ethyl-3-(naphthalen-2-ylmethylamino)urea
SMILESCCNC(=O)NNCc1ccc2ccccc2c1
InChIInChI=1S/C14H17N3O/c1-2-15-14(18)17-16-10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9,16H,2,10H2,1H3,(H2,15,17,18)
InChIKeySNDJBZBUZRRUTQ-UHFFFAOYSA-N
XLogP2.16
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea
CID 34711127
N-(naphthalen-2-ylmethyl)-2-oxoacetamide
CID 54357597
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide
CID 175919699
3-hydroxy-N-(naphthalen-2-ylmethyl)propanamide
CID 115139108
1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea
CID 111337415
N-[2-(ethylamino)ethyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119504641
N-[(2-ethylphenyl)methyl]-1-naphthalen-2-ylmethanamine
CID 64680706
(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid
CID 102164167
1-[(2S)-4-methylsulfonylbutan-2-yl]-3-(naphthalen-2-ylmethyl)urea
CID 97227616
N-ethoxy-1-naphthalen-2-ylmethanamine
CID 53308535
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(naphthalen-2-ylmethylamino)urea?
The IUPAC name of 1-ethyl-3-(naphthalen-2-ylmethylamino)urea (CID 87622350) is 1-ethyl-3-(naphthalen-2-ylmethylamino)urea.
What is the SMILES notation for 1-ethyl-3-(naphthalen-2-ylmethylamino)urea?
The canonical SMILES for 1-ethyl-3-(naphthalen-2-ylmethylamino)urea is CCNC(=O)NNCc1ccc2ccccc2c1.
What is the InChIKey of 1-ethyl-3-(naphthalen-2-ylmethylamino)urea?
The InChIKey is SNDJBZBUZRRUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-15-14(18)17-16-10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9,16H,2,10H2,1H3,(H2,15,17,18).
What are the key properties of 1-ethyl-3-(naphthalen-2-ylmethylamino)urea?
1-ethyl-3-(naphthalen-2-ylmethylamino)urea has a molecular weight of 243.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(naphthalen-2-ylmethylamino)urea is sourced from PubChem (CID 87622350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).