N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide

C18H27NO3 — CID 78875889

IUPACN-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide
SMILESCCCN(Cc1ccccc1)C(=O)CCOCC1CCCO1
InChIInChI=1S/C18H27NO3/c1-2-11-19(14-16-7-4-3-5-8-16)18(20)10-13-21-15-17-9-6-12-22-17/h3-5,7-8,17H,2,6,9-15H2,1H3
InChIKeyKFWNNKPYRFZPHS-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.01
Rot. Bonds9

About N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide

N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide (PubChem CID 78875889) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide
PubChem CID78875889
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide
SMILESCCCN(Cc1ccccc1)C(=O)CCOCC1CCCO1
InChIInChI=1S/C18H27NO3/c1-2-11-19(14-16-7-4-3-5-8-16)18(20)10-13-21-15-17-9-6-12-22-17/h3-5,7-8,17H,2,6,9-15H2,1H3
InChIKeyKFWNNKPYRFZPHS-UHFFFAOYSA-N
XLogP3.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide
CID 120886456
N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119681545
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119189387
4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
CID 120561181
N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide
CID 48846486
4-[3-[benzyl(oxolan-2-ylmethyl)amino]-3-oxopropyl]benzoic acid
CID 119182305
N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55991521
N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 7416321
N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 7416323
1-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111408363
N-benzyl-2-morpholin-2-yl-N-propylacetamide
CID 66433391

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide?
The IUPAC name of N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide (CID 78875889) is N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide.
What is the SMILES notation for N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide?
The canonical SMILES for N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide is CCCN(Cc1ccccc1)C(=O)CCOCC1CCCO1.
What is the InChIKey of N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide?
The InChIKey is KFWNNKPYRFZPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-2-11-19(14-16-7-4-3-5-8-16)18(20)10-13-21-15-17-9-6-12-22-17/h3-5,7-8,17H,2,6,9-15H2,1H3.
What are the key properties of N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide?
N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide has a molecular weight of 305.42 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide is sourced from PubChem (CID 78875889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).