1,3-bis[2-(diethylamino)ethyl]-1-(2-phenoxyethyl)urea

C21H38N4O2 — CID 14855287

IUPAC1,3-bis[2-(diethylamino)ethyl]-1-(2-phenoxyethyl)urea
SMILESCCN(CC)CCNC(=O)N(CCOc1ccccc1)CCN(CC)CC
InChIInChI=1S/C21H38N4O2/c1-5-23(6-2)15-14-22-21(26)25(17-16-24(7-3)8-4)18-19-27-20-12-10-9-11-13-20/h9-13H,5-8,14-19H2,1-4H3,(H,22,26)
InChIKeyHACKFRXRVXHBJJ-UHFFFAOYSA-N
MW378.56 g/mol
LogP2.76
Rot. Bonds14

About 1,3-bis[2-(diethylamino)ethyl]-1-(2-phenoxyethyl)urea

1,3-bis[2-(diethylamino)ethyl]-1-(2-phenoxyethyl)urea (PubChem CID 14855287) has the molecular formula C21H38N4O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 1,3-bis[2-(diethylamino)ethyl]-1-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1,3-bis[2-(diethylamino)ethyl]-1-(2-phenoxyethyl)urea
PubChem CID14855287
Molecular FormulaC21H38N4O2
Molecular Weight378.56 g/mol
Exact Mass378.30
IUPAC Name1,3-bis[2-(diethylamino)ethyl]-1-(2-phenoxyethyl)urea
SMILESCCN(CC)CCNC(=O)N(CCOc1ccccc1)CCN(CC)CC
InChIInChI=1S/C21H38N4O2/c1-5-23(6-2)15-14-22-21(26)25(17-16-24(7-3)8-4)18-19-27-20-12-10-9-11-13-20/h9-13H,5-8,14-19H2,1-4H3,(H,22,26)
InChIKeyHACKFRXRVXHBJJ-UHFFFAOYSA-N
XLogP2.76
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(benzenesulfonyl)ethyl]-1,3-bis[2-(diethylamino)ethyl]urea
CID 14855265
1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea
CID 108887045
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide
CID 110425077
1,1-bis(2-methylpropyl)-3-(2-phenoxyethyl)urea
CID 108887104
2-(diethylamino)-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 3060147
1,1-bis(2-methylpropyl)-3-(3-phenoxypropyl)urea
CID 108883218
1,3-bis[2-(diethylamino)ethyl]-1-(3-phenylpropyl)urea;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 70360564
N-[2-(diethylamino)ethyl]-3-phenoxybenzamide
CID 12941795
1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea
CID 14855277
4-[[2-(4-bromophenoxy)ethyl-ethylcarbamoyl]amino]butanoic acid
CID 122023110
2-ethoxy-3-[4-[2-[3-phenoxypropyl(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
CID 22231026
N-[4-(diethylamino)butyl]-2-phenoxyacetamide
CID 110442217

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(diethylamino)ethyl]-1-(2-phenoxyethyl)urea?
The IUPAC name of 1,3-bis[2-(diethylamino)ethyl]-1-(2-phenoxyethyl)urea (CID 14855287) is 1,3-bis[2-(diethylamino)ethyl]-1-(2-phenoxyethyl)urea.
What is the SMILES notation for 1,3-bis[2-(diethylamino)ethyl]-1-(2-phenoxyethyl)urea?
The canonical SMILES for 1,3-bis[2-(diethylamino)ethyl]-1-(2-phenoxyethyl)urea is CCN(CC)CCNC(=O)N(CCOc1ccccc1)CCN(CC)CC.
What is the InChIKey of 1,3-bis[2-(diethylamino)ethyl]-1-(2-phenoxyethyl)urea?
The InChIKey is HACKFRXRVXHBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O2/c1-5-23(6-2)15-14-22-21(26)25(17-16-24(7-3)8-4)18-19-27-20-12-10-9-11-13-20/h9-13H,5-8,14-19H2,1-4H3,(H,22,26).
What are the key properties of 1,3-bis[2-(diethylamino)ethyl]-1-(2-phenoxyethyl)urea?
1,3-bis[2-(diethylamino)ethyl]-1-(2-phenoxyethyl)urea has a molecular weight of 378.56 g/mol, XLogP of 2.76, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(diethylamino)ethyl]-1-(2-phenoxyethyl)urea is sourced from PubChem (CID 14855287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).