N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide

C21H34N2O3 — CID 47798791

IUPACN-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCCCCCN(CCN1CCOCC1)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C21H34N2O3/c1-3-4-5-6-11-23(13-12-22-14-16-26-17-15-22)21(24)18-19-7-9-20(25-2)10-8-19/h7-10H,3-6,11-18H2,1-2H3
InChIKeyQDVBRGCKSUZFDK-UHFFFAOYSA-N
MW362.51 g/mol
LogP2.98
Rot. Bonds11

About N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide

N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 47798791) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID47798791
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC NameN-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCCCCCN(CCN1CCOCC1)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C21H34N2O3/c1-3-4-5-6-11-23(13-12-22-14-16-26-17-15-22)21(24)18-19-7-9-20(25-2)10-8-19/h7-10H,3-6,11-18H2,1-2H3
InChIKeyQDVBRGCKSUZFDK-UHFFFAOYSA-N
XLogP2.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 47074677
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]acetamide
CID 42771567
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 5038488
N-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 47940660
ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate
CID 42701674
2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
CID 113075099
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30715374
2-(4-ethoxyphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30715447
1-hexyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea
CID 47076439
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
CID 3837441
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride
CID 121046619
N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide
CID 58848463

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide (CID 47798791) is N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide is CCCCCCN(CCN1CCOCC1)C(=O)Cc1ccc(OC)cc1.
What is the InChIKey of N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is QDVBRGCKSUZFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-3-4-5-6-11-23(13-12-22-14-16-26-17-15-22)21(24)18-19-7-9-20(25-2)10-8-19/h7-10H,3-6,11-18H2,1-2H3.
What are the key properties of N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 362.51 g/mol, XLogP of 2.98, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 47798791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).