1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea

C15H25N3O2 — CID 110425086

IUPAC1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea
SMILESCCN(CC)CCOCCNC(=O)Nc1ccccc1
InChIInChI=1S/C15H25N3O2/c1-3-18(4-2)11-13-20-12-10-16-15(19)17-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H2,16,17,19)
InChIKeyKWAADGBFSHFCPR-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.17
Rot. Bonds9

About 1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea

1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea (PubChem CID 110425086) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea
PubChem CID110425086
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea
SMILESCCN(CC)CCOCCNC(=O)Nc1ccccc1
InChIInChI=1S/C15H25N3O2/c1-3-18(4-2)11-13-20-12-10-16-15(19)17-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H2,16,17,19)
InChIKeyKWAADGBFSHFCPR-UHFFFAOYSA-N
XLogP2.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide
CID 75456654
1-phenyl-3-(2-phenylmethoxyethyl)urea
CID 56923115
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide
CID 110425077
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide
CID 110425742
3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide
CID 110618471
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
CID 4604027
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methylpropanamide
CID 110425032
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea
CID 3669043
1-dodecyl-3-phenylurea
CID 3697946
2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463712

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea (CID 110425086) is 1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea is CCN(CC)CCOCCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea?
The InChIKey is KWAADGBFSHFCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-18(4-2)11-13-20-12-10-16-15(19)17-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea?
1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea has a molecular weight of 279.38 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea is sourced from PubChem (CID 110425086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).