N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide

C20H25N3O3 — CID 51113600

IUPACN-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)NCCCOc2ccccc2)c1
InChIInChI=1S/C20H25N3O3/c1-15(17-8-6-9-18(14-17)23-16(2)24)22-20(25)21-12-7-13-26-19-10-4-3-5-11-19/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyQEFXXFRCYRAZPI-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.47
Rot. Bonds8

About N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide

N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide (PubChem CID 51113600) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide
PubChem CID51113600
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)NCCCOc2ccccc2)c1
InChIInChI=1S/C20H25N3O3/c1-15(17-8-6-9-18(14-17)23-16(2)24)22-20(25)21-12-7-13-26-19-10-4-3-5-11-19/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyQEFXXFRCYRAZPI-UHFFFAOYSA-N
XLogP3.47
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.47
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-(3-phenoxypropylcarbamoylamino)phenyl]acetamide
CID 108883171
1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea
CID 112972965
N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 3810433
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea
CID 108886994
N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide
CID 46468132
N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 74229032
N-[3-[2-[[N'-methyl-N-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide
CID 111403659
N-[3-[1-[(4-phenylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032022
1-[(1S)-1-phenylethyl]-3-[8-[[(1S)-1-phenylethyl]carbamoylamino]octyl]urea
CID 102519107
N-[3-[1-[(2,5-diethoxyphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032890
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide
CID 94060411

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide (CID 51113600) is N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NC(=O)NCCCOc2ccccc2)c1.
What is the InChIKey of N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide?
The InChIKey is QEFXXFRCYRAZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15(17-8-6-9-18(14-17)23-16(2)24)22-20(25)21-12-7-13-26-19-10-4-3-5-11-19/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,23,24)(H2,21,22,25).
What are the key properties of N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide?
N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 51113600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).