N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide

C18H29NO3 — CID 43877163

IUPACN-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(C)OCCCNC(=O)C(C)Oc1ccccc1C(C)C
InChIInChI=1S/C18H29NO3/c1-13(2)16-9-6-7-10-17(16)22-15(5)18(20)19-11-8-12-21-14(3)4/h6-7,9-10,13-15H,8,11-12H2,1-5H3,(H,19,20)
InChIKeyVSYDPSQBZRPWIV-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.51
Rot. Bonds9

About N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide

N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 43877163) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID43877163
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC NameN-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(C)OCCCNC(=O)C(C)Oc1ccccc1C(C)C
InChIInChI=1S/C18H29NO3/c1-13(2)16-9-6-7-10-17(16)22-15(5)18(20)19-11-8-12-21-14(3)4/h6-7,9-10,13-15H,8,11-12H2,1-5H3,(H,19,20)
InChIKeyVSYDPSQBZRPWIV-UHFFFAOYSA-N
XLogP3.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 99959864
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 94180255
(2R)-2-phenoxy-N-(3-propan-2-yloxypropyl)propanamide
CID 2227382
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133239810
(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30379413
N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43916416
N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43916344
N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63364873
2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 43503502
(2R)-N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 92679375
(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 92647207

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide (CID 43877163) is N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide is CC(C)OCCCNC(=O)C(C)Oc1ccccc1C(C)C.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is VSYDPSQBZRPWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-13(2)16-9-6-7-10-17(16)22-15(5)18(20)19-11-8-12-21-14(3)4/h6-7,9-10,13-15H,8,11-12H2,1-5H3,(H,19,20).
What are the key properties of N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide?
N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 307.43 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 43877163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).