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

C19H26N4O2 — CID 10268959

IUPAC1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea
SMILESCOc1ccc(CNc2ccccc2NC(=O)NCCN(C)C)cc1
InChIInChI=1S/C19H26N4O2/c1-23(2)13-12-20-19(24)22-18-7-5-4-6-17(18)21-14-15-8-10-16(25-3)11-9-15/h4-11,21H,12-14H2,1-3H3,(H2,20,22,24)
InChIKeyWCAYVDQPXFUBFH-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.99
Rot. Bonds8

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

1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea (PubChem CID 10268959) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea
PubChem CID10268959
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea
SMILESCOc1ccc(CNc2ccccc2NC(=O)NCCN(C)C)cc1
InChIInChI=1S/C19H26N4O2/c1-23(2)13-12-20-19(24)22-18-7-5-4-6-17(18)21-14-15-8-10-16(25-3)11-9-15/h4-11,21H,12-14H2,1-3H3,(H2,20,22,24)
InChIKeyWCAYVDQPXFUBFH-UHFFFAOYSA-N
XLogP2.99
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea
CID 10109129
1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868221
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159
1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
N-[2-(dimethylamino)ethyl]-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109115345
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
N'-[2-(dimethylamino)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996184
2-[(4-methoxyphenyl)methylamino]benzoate
CID 3280708
(4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
CID 127523781
1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 108988227
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea (CID 10268959) is 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea is COc1ccc(CNc2ccccc2NC(=O)NCCN(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea?
The InChIKey is WCAYVDQPXFUBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-23(2)13-12-20-19(24)22-18-7-5-4-6-17(18)21-14-15-8-10-16(25-3)11-9-15/h4-11,21H,12-14H2,1-3H3,(H2,20,22,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea?
1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea is sourced from PubChem (CID 10268959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).