1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea

C15H25N3O2 — CID 108868181

IUPAC1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCCN(CC)CCNC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C15H25N3O2/c1-4-18(5-2)11-10-16-15(19)17-12-13-6-8-14(20-3)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H2,16,17,19)
InChIKeyFLSNHHLIGBKRFH-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.84
Rot. Bonds8

About 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea

1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 108868181) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID108868181
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCCN(CC)CCNC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C15H25N3O2/c1-4-18(5-2)11-10-16-15(19)17-12-13-6-8-14(20-3)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H2,16,17,19)
InChIKeyFLSNHHLIGBKRFH-UHFFFAOYSA-N
XLogP1.84
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868221
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
4-[[2-(diethylamino)ethylcarbamoylamino]methyl]benzoic acid
CID 61186344
1-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901941
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868142
methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate
CID 60591566
N-[2-(diethylamino)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7541375
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
N-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide
CID 139646624
1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 110894111

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea (CID 108868181) is 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea is CCN(CC)CCNC(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is FLSNHHLIGBKRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-18(5-2)11-10-16-15(19)17-12-13-6-8-14(20-3)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 279.38 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108868181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).