N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide

C16H25N3O3 — CID 110609793

IUPACN-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
SMILESCOc1ccccc1CCNC(=O)NCCCCNC(C)=O
InChIInChI=1S/C16H25N3O3/c1-13(20)17-10-5-6-11-18-16(21)19-12-9-14-7-3-4-8-15(14)22-2/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyUDBQWHILOIFALT-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.45
Rot. Bonds9

About N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide

N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide (PubChem CID 110609793) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
PubChem CID110609793
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
SMILESCOc1ccccc1CCNC(=O)NCCCCNC(C)=O
InChIInChI=1S/C16H25N3O3/c1-13(20)17-10-5-6-11-18-16(21)19-12-9-14-7-3-4-8-15(14)22-2/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyUDBQWHILOIFALT-UHFFFAOYSA-N
XLogP1.45
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide 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-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108899894
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-tert-butyl-3-[4-(2-methoxyphenyl)butyl]urea
CID 110661390
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672
1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea
CID 108914510
1-hexyl-3-[(2-methoxyphenyl)methyl]urea
CID 30694177
1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111478718
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112975641
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea
CID 108913018

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide?
The IUPAC name of N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide (CID 110609793) is N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide?
The canonical SMILES for N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide is COc1ccccc1CCNC(=O)NCCCCNC(C)=O.
What is the InChIKey of N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide?
The InChIKey is UDBQWHILOIFALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-13(20)17-10-5-6-11-18-16(21)19-12-9-14-7-3-4-8-15(14)22-2/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide?
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide has a molecular weight of 307.39 g/mol, XLogP of 1.45, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide is sourced from PubChem (CID 110609793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).