N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide

C14H21N3O4 — CID 43278640

IUPACN-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide
SMILESCCCNCc1ccc(OCC(=O)NC(N)=O)c(OC)c1
InChIInChI=1S/C14H21N3O4/c1-3-6-16-8-10-4-5-11(12(7-10)20-2)21-9-13(18)17-14(15)19/h4-5,7,16H,3,6,8-9H2,1-2H3,(H3,15,17,18,19)
InChIKeyCEENLHMVVWVTME-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.77
Rot. Bonds8

About N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide

N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide (PubChem CID 43278640) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide
PubChem CID43278640
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide
SMILESCCCNCc1ccc(OCC(=O)NC(N)=O)c(OC)c1
InChIInChI=1S/C14H21N3O4/c1-3-6-16-8-10-4-5-11(12(7-10)20-2)21-9-13(18)17-14(15)19/h4-5,7,16H,3,6,8-9H2,1-2H3,(H3,15,17,18,19)
InChIKeyCEENLHMVVWVTME-UHFFFAOYSA-N
XLogP0.77
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]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

2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
2-[2-bromo-4-(propylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 63044671
N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide
CID 43278167
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278803
2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride
CID 17289414
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide
CID 107687126
3-[(3,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61061288
3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 102536557
N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 60883012
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide
CID 62899820

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide?
The IUPAC name of N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide (CID 43278640) is N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide.
What is the SMILES notation for N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide?
The canonical SMILES for N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide is CCCNCc1ccc(OCC(=O)NC(N)=O)c(OC)c1.
What is the InChIKey of N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide?
The InChIKey is CEENLHMVVWVTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-6-16-8-10-4-5-11(12(7-10)20-2)21-9-13(18)17-14(15)19/h4-5,7,16H,3,6,8-9H2,1-2H3,(H3,15,17,18,19).
What are the key properties of N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide?
N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide has a molecular weight of 295.34 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide is sourced from PubChem (CID 43278640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).