1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea

C20H27N3O3 — CID 108890846

IUPAC1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
SMILESCCOc1ccc(OCNC(=O)Nc2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C20H27N3O3/c1-4-23(5-2)17-9-7-16(8-10-17)22-20(24)21-15-26-19-13-11-18(12-14-19)25-6-3/h7-14H,4-6,15H2,1-3H3,(H2,21,22,24)
InChIKeyXJSJKNZUURUXOQ-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.09
Rot. Bonds9

About 1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea

1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea (PubChem CID 108890846) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
PubChem CID108890846
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
SMILESCCOc1ccc(OCNC(=O)Nc2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C20H27N3O3/c1-4-23(5-2)17-9-7-16(8-10-17)22-20(24)21-15-26-19-13-11-18(12-14-19)25-6-3/h7-14H,4-6,15H2,1-3H3,(H2,21,22,24)
InChIKeyXJSJKNZUURUXOQ-UHFFFAOYSA-N
XLogP4.09
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890825
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892159
N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226078
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890615
1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea
CID 3669043
1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea
CID 3823271
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167760

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea (CID 108890846) is 1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea is CCOc1ccc(OCNC(=O)Nc2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea?
The InChIKey is XJSJKNZUURUXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-4-23(5-2)17-9-7-16(8-10-17)22-20(24)21-15-26-19-13-11-18(12-14-19)25-6-3/h7-14H,4-6,15H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea?
1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea has a molecular weight of 357.45 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea is sourced from PubChem (CID 108890846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).