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

C13H21N3O2 — CID 108868221

IUPAC1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCCN(C)C)cc1
InChIInChI=1S/C13H21N3O2/c1-16(2)9-8-14-13(17)15-10-11-4-6-12(18-3)7-5-11/h4-7H,8-10H2,1-3H3,(H2,14,15,17)
InChIKeyJEBNUOGLJFRCDC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.06
Rot. Bonds6

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

1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 108868221) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID108868221
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCCN(C)C)cc1
InChIInChI=1S/C13H21N3O2/c1-16(2)9-8-14-13(17)15-10-11-4-6-12(18-3)7-5-11/h4-7H,8-10H2,1-3H3,(H2,14,15,17)
InChIKeyJEBNUOGLJFRCDC-UHFFFAOYSA-N
XLogP1.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868181
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea
CID 108896807
1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea
CID 10268959
N'-[2-(dimethylamino)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996184
(4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
CID 127523781
methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate
CID 60591566
1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868142
1-[2-(dimethylamino)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216404
1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 110894111
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108988343
N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide
CID 109016275

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea (CID 108868221) is 1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)NCCN(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is JEBNUOGLJFRCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16(2)9-8-14-13(17)15-10-11-4-6-12(18-3)7-5-11/h4-7H,8-10H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 251.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108868221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).