2-(1-naphthalen-2-ylethylamino)ethylurea

C15H19N3O — CID 83111282

IUPAC2-(1-naphthalen-2-ylethylamino)ethylurea
SMILESCC(NCCNC(N)=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H19N3O/c1-11(17-8-9-18-15(16)19)13-7-6-12-4-2-3-5-14(12)10-13/h2-7,10-11,17H,8-9H2,1H3,(H3,16,18,19)
InChIKeyGDDVDMUSBURBIT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.16
Rot. Bonds5

About 2-(1-naphthalen-2-ylethylamino)ethylurea

2-(1-naphthalen-2-ylethylamino)ethylurea (PubChem CID 83111282) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(1-naphthalen-2-ylethylamino)ethylurea.

Molecular Properties

Compound Name2-(1-naphthalen-2-ylethylamino)ethylurea
PubChem CID83111282
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(1-naphthalen-2-ylethylamino)ethylurea
SMILESCC(NCCNC(N)=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H19N3O/c1-11(17-8-9-18-15(16)19)13-7-6-12-4-2-3-5-14(12)10-13/h2-7,10-11,17H,8-9H2,1H3,(H3,16,18,19)
InChIKeyGDDVDMUSBURBIT-UHFFFAOYSA-N
XLogP2.16
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1-naphthalen-2-ylethylamino)propanoic acid
CID 43087222
5-(1-naphthalen-2-ylethylamino)pentan-1-ol
CID 103912661
N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide
CID 43208132
ethyl 2-(1-naphthalen-2-ylethylamino)acetate
CID 60680493
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
2-[1-(3-cyanophenyl)ethylamino]ethylurea
CID 83110158
3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 60696710
N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930
2-[1-(3-nitrophenyl)ethylamino]ethylurea
CID 83110972
2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide
CID 78776331
2-[(1-naphthalen-2-ylethylamino)methyl]phenol
CID 115602905
(2R)-2-naphthalen-2-ylpropanamide
CID 101175106

Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-2-ylethylamino)ethylurea?
The IUPAC name of 2-(1-naphthalen-2-ylethylamino)ethylurea (CID 83111282) is 2-(1-naphthalen-2-ylethylamino)ethylurea.
What is the SMILES notation for 2-(1-naphthalen-2-ylethylamino)ethylurea?
The canonical SMILES for 2-(1-naphthalen-2-ylethylamino)ethylurea is CC(NCCNC(N)=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(1-naphthalen-2-ylethylamino)ethylurea?
The InChIKey is GDDVDMUSBURBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(17-8-9-18-15(16)19)13-7-6-12-4-2-3-5-14(12)10-13/h2-7,10-11,17H,8-9H2,1H3,(H3,16,18,19).
What are the key properties of 2-(1-naphthalen-2-ylethylamino)ethylurea?
2-(1-naphthalen-2-ylethylamino)ethylurea has a molecular weight of 257.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-2-ylethylamino)ethylurea is sourced from PubChem (CID 83111282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).