N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide

C22H28N2O3 — CID 17483571

IUPACN-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC(=O)NCCCCc2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-17(2)27-20-13-11-19(12-14-20)22(26)24-16-21(25)23-15-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-14,17H,6-7,10,15-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUFKJRCKDJJUZTL-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.34
Rot. Bonds10

About N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide

N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide (PubChem CID 17483571) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide
PubChem CID17483571
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC(=O)NCCCCc2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-17(2)27-20-13-11-19(12-14-20)22(26)24-16-21(25)23-15-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-14,17H,6-7,10,15-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUFKJRCKDJJUZTL-UHFFFAOYSA-N
XLogP3.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.34
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-[2-oxo-2-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]ethyl]benzamide
CID 43002548
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 24552786
N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
CID 106843629
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
CID 43048234
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide
CID 90498496
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 43050302
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide
CID 25483291

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide (CID 17483571) is N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCC(=O)NCCCCc2ccccc2)cc1.
What is the InChIKey of N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide?
The InChIKey is UFKJRCKDJJUZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(2)27-20-13-11-19(12-14-20)22(26)24-16-21(25)23-15-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-14,17H,6-7,10,15-16H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide?
N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 368.48 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 17483571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).