N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide

C12H17N3O3 — CID 47140507

IUPACN-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
SMILESCOc1cccc(NC(=O)NCCNC(C)=O)c1
InChIInChI=1S/C12H17N3O3/c1-9(16)13-6-7-14-12(17)15-10-4-3-5-11(8-10)18-2/h3-5,8H,6-7H2,1-2H3,(H,13,16)(H2,14,15,17)
InChIKeyOBDMZSIMSSTTLL-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.95
Rot. Bonds5

About N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide

N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide (PubChem CID 47140507) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
PubChem CID47140507
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
SMILESCOc1cccc(NC(=O)NCCNC(C)=O)c1
InChIInChI=1S/C12H17N3O3/c1-9(16)13-6-7-14-12(17)15-10-4-3-5-11(8-10)18-2/h3-5,8H,6-7H2,1-2H3,(H,13,16)(H2,14,15,17)
InChIKeyOBDMZSIMSSTTLL-UHFFFAOYSA-N
XLogP0.95
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-acetamidoethylcarbamoylamino)phenyl] acetate
CID 108865308
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide
CID 90577447
1-(3-aminopentyl)-3-(3-methoxyphenyl)urea
CID 113498087
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830
1-(3-methoxyphenyl)-3-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]urea
CID 95980213
N-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide
CID 67747096
1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea
CID 60733422
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide (CID 47140507) is N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide is COc1cccc(NC(=O)NCCNC(C)=O)c1.
What is the InChIKey of N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide?
The InChIKey is OBDMZSIMSSTTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9(16)13-6-7-14-12(17)15-10-4-3-5-11(8-10)18-2/h3-5,8H,6-7H2,1-2H3,(H,13,16)(H2,14,15,17).
What are the key properties of N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide?
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide has a molecular weight of 251.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 47140507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).