N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide

C18H21N3O3 — CID 108883171

IUPACN-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCCCOc2ccccc2)c1
InChIInChI=1S/C18H21N3O3/c1-14(22)20-15-7-5-8-16(13-15)21-18(23)19-11-6-12-24-17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyVPWOOLMXXNWOPP-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.24
Rot. Bonds7

About N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide

N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide (PubChem CID 108883171) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide
PubChem CID108883171
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCCCOc2ccccc2)c1
InChIInChI=1S/C18H21N3O3/c1-14(22)20-15-7-5-8-16(13-15)21-18(23)19-11-6-12-24-17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyVPWOOLMXXNWOPP-UHFFFAOYSA-N
XLogP3.24
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.24
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

N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide
CID 51113600
N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 74229032
1-(4-phenoxybutyl)-3-phenylurea
CID 19353776
N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 3810433
butyl 4-[3-(3-acetamidophenoxy)propylcarbamoylamino]benzoate
CID 3338314
2-[3-(3-methoxypropylcarbamoylamino)phenoxy]acetic acid
CID 61196148
N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112974507
[3-(3-methoxypropylcarbamoylamino)phenyl] acetate
CID 108865105
N-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112974359
N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide
CID 108884144
N-[4-(3-phenoxypropylamino)phenyl]acetamide
CID 60678376
N-[3-[3-[(3-chlorophenyl)carbamothioylamino]propoxy]phenyl]acetamide
CID 3719601

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide (CID 108883171) is N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)NCCCOc2ccccc2)c1.
What is the InChIKey of N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide?
The InChIKey is VPWOOLMXXNWOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14(22)20-15-7-5-8-16(13-15)21-18(23)19-11-6-12-24-17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide?
N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide has a molecular weight of 327.38 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 108883171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).