N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide

C17H24N2O3 — CID 27451627

IUPACN'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H24N2O3/c1-2-10-18-15(20)16(21)19-13-17(8-11-22-12-9-17)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,18,20)(H,19,21)
InChIKeySYEPNGAKKLYOEK-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.38
Rot. Bonds5

About N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide

N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide (PubChem CID 27451627) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
PubChem CID27451627
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H24N2O3/c1-2-10-18-15(20)16(21)19-13-17(8-11-22-12-9-17)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,18,20)(H,19,21)
InChIKeySYEPNGAKKLYOEK-UHFFFAOYSA-N
XLogP1.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1340930
4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100542760
5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 120623335
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylpropanamide
CID 133210947
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(4-phenyloxan-4-yl)methyl]guanidine
CID 111855636
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide
CID 40566076
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689
2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 111430576

Frequently Asked Questions

What is the IUPAC name of N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide?
The IUPAC name of N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide (CID 27451627) is N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide.
What is the SMILES notation for N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide?
The canonical SMILES for N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide is CCCNC(=O)C(=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide?
The InChIKey is SYEPNGAKKLYOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-10-18-15(20)16(21)19-13-17(8-11-22-12-9-17)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide?
N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide has a molecular weight of 304.39 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide is sourced from PubChem (CID 27451627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).