N-[2-(2-hydroxyethoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide

C27H29NO4 — CID 19966073

IUPACN-[2-(2-hydroxyethoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide
SMILESCC(C)c1cccc(COCCO)c1NC(=O)CC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C27H29NO4/c1-18(2)20-11-7-8-19(17-31-15-14-29)27(20)28-26(30)16-23-21-9-3-5-12-24(21)32-25-13-6-4-10-22(23)25/h3-13,18,23,29H,14-17H2,1-2H3,(H,28,30)
InChIKeyIAGQNGZLHSRQGY-UHFFFAOYSA-N
MW431.53 g/mol
LogP5.59
Rot. Bonds8

About N-[2-(2-hydroxyethoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide

N-[2-(2-hydroxyethoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide (PubChem CID 19966073) has the molecular formula C27H29NO4 and a molecular weight of 431.53 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide
PubChem CID19966073
Molecular FormulaC27H29NO4
Molecular Weight431.53 g/mol
Exact Mass431.21
IUPAC NameN-[2-(2-hydroxyethoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide
SMILESCC(C)c1cccc(COCCO)c1NC(=O)CC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C27H29NO4/c1-18(2)20-11-7-8-19(17-31-15-14-29)27(20)28-26(30)16-23-21-9-3-5-12-24(21)32-25-13-6-4-10-22(23)25/h3-13,18,23,29H,14-17H2,1-2H3,(H,28,30)
InChIKeyIAGQNGZLHSRQGY-UHFFFAOYSA-N
XLogP5.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.53
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-hydroxyethoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)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-[2,6-di(propan-2-yl)phenyl]-2-(9H-xanthen-9-ylsulfanyl)acetamide
CID 19419311
N-(2-methyl-6-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 1312260
N-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 742969
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 4793295
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid
CID 19874929
2-(9H-xanthen-9-yl)acetic acid
CID 834662
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
CID 113000636
2-methyl-1-(9H-xanthen-9-yl)propan-1-one
CID 79299133
N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide
CID 110858330
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 55317684
2-[acetyl(propan-2-yl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113158268

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide?
The IUPAC name of N-[2-(2-hydroxyethoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide (CID 19966073) is N-[2-(2-hydroxyethoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide?
The canonical SMILES for N-[2-(2-hydroxyethoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide is CC(C)c1cccc(COCCO)c1NC(=O)CC1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[2-(2-hydroxyethoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide?
The InChIKey is IAGQNGZLHSRQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO4/c1-18(2)20-11-7-8-19(17-31-15-14-29)27(20)28-26(30)16-23-21-9-3-5-12-24(21)32-25-13-6-4-10-22(23)25/h3-13,18,23,29H,14-17H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(2-hydroxyethoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide?
N-[2-(2-hydroxyethoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide has a molecular weight of 431.53 g/mol, XLogP of 5.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide is sourced from PubChem (CID 19966073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).