N-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C22H33N3O4 — CID 47940660

IUPACN-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCCCCCCN(CCN1CCOCC1)C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C22H33N3O4/c1-2-3-4-7-11-24(14-13-23-15-17-28-18-16-23)21(26)10-12-25-19-8-5-6-9-20(19)29-22(25)27/h5-6,8-9H,2-4,7,10-18H2,1H3
InChIKeySNRVVWWEXMXLEJ-UHFFFAOYSA-N
MW403.52 g/mol
LogP2.73
Rot. Bonds11

About N-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 47940660) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID47940660
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC NameN-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCCCCCCN(CCN1CCOCC1)C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C22H33N3O4/c1-2-3-4-7-11-24(14-13-23-15-17-28-18-16-23)21(26)10-12-25-19-8-5-6-9-20(19)29-22(25)27/h5-6,8-9H,2-4,7,10-18H2,1H3
InChIKeySNRVVWWEXMXLEJ-UHFFFAOYSA-N
XLogP2.73
TPSA67.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)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

N-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 47074677
3-[5-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperazin-1-yl]pentyl]-1,3-benzoxazol-2-one
CID 58511876
N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 47798791
N-(4-morpholin-4-ylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 47041811
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 9481617
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886319
N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197900
3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 126772645
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 43998159
N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 43998187
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide
CID 92546617

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 47940660) is N-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CCCCCCN(CCN1CCOCC1)C(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of N-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is SNRVVWWEXMXLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-2-3-4-7-11-24(14-13-23-15-17-28-18-16-23)21(26)10-12-25-19-8-5-6-9-20(19)29-22(25)27/h5-6,8-9H,2-4,7,10-18H2,1H3.
What are the key properties of N-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 403.52 g/mol, XLogP of 2.73, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 47940660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).