N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide

C16H24N2O3 — CID 54829868

IUPACN-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1cccc(NCC(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H24N2O3/c1-12(2)21-14-6-3-5-13(9-14)17-11-16(19)18-10-15-7-4-8-20-15/h3,5-6,9,12,15,17H,4,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyCWQIMLRQADKWOB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.18
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide

N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide (PubChem CID 54829868) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide
PubChem CID54829868
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1cccc(NCC(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H24N2O3/c1-12(2)21-14-6-3-5-13(9-14)17-11-16(19)18-10-15-7-4-8-20-15/h3,5-6,9,12,15,17H,4,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyCWQIMLRQADKWOB-UHFFFAOYSA-N
XLogP2.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide 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

N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide
CID 54825001
2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604
N-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54828739
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17202413
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54837066
1-[[2-(3-methoxyanilino)acetyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8654794
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 108994419
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659
4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836756
2-[3-(oxolan-2-ylmethoxy)anilino]-N-propylacetamide
CID 54828521
2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54820456
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54829955

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide (CID 54829868) is N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide is CC(C)Oc1cccc(NCC(=O)NCC2CCCO2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide?
The InChIKey is CWQIMLRQADKWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)21-14-6-3-5-13(9-14)17-11-16(19)18-10-15-7-4-8-20-15/h3,5-6,9,12,15,17H,4,7-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide?
N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide has a molecular weight of 292.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 54829868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).