N-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide

C15H23N3O3 — CID 113053321

IUPACN-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
SMILESCOCCCN(CCNC(=O)Nc1ccccc1)C(C)=O
InChIInChI=1S/C15H23N3O3/c1-13(19)18(10-6-12-21-2)11-9-16-15(20)17-14-7-4-3-5-8-14/h3-5,7-8H,6,9-12H2,1-2H3,(H2,16,17,20)
InChIKeyIFVPSQUDCARUMM-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.69
Rot. Bonds8

About N-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide

N-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide (PubChem CID 113053321) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
PubChem CID113053321
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
SMILESCOCCCN(CCNC(=O)Nc1ccccc1)C(C)=O
InChIInChI=1S/C15H23N3O3/c1-13(19)18(10-6-12-21-2)11-9-16-15(20)17-14-7-4-3-5-8-14/h3-5,7-8H,6,9-12H2,1-2H3,(H2,16,17,20)
InChIKeyIFVPSQUDCARUMM-UHFFFAOYSA-N
XLogP1.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113054043
4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
CID 52793055
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
2-methoxyethyl 3-(phenylcarbamoylamino)propanoate
CID 42242981
N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113056611
[3-(3-methoxypropylcarbamoylamino)phenyl] acetate
CID 108865105
1-(4-phenoxybutyl)-3-phenylurea
CID 19353776
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
1-(3-hydroxy-4-methoxybutyl)-3-phenylurea
CID 103875503
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059339
N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059217

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide (CID 113053321) is N-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide is COCCCN(CCNC(=O)Nc1ccccc1)C(C)=O.
What is the InChIKey of N-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
The InChIKey is IFVPSQUDCARUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-13(19)18(10-6-12-21-2)11-9-16-15(20)17-14-7-4-3-5-8-14/h3-5,7-8H,6,9-12H2,1-2H3,(H2,16,17,20).
What are the key properties of N-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
N-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113053321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).