7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide

C13H26N2O3 — CID 106298777

IUPAC7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide
SMILESNCCCCCCC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C13H26N2O3/c14-8-4-2-1-3-5-12(17)15-13(11-16)6-9-18-10-7-13/h16H,1-11,14H2,(H,15,17)
InChIKeyPLGRVNADGIPJDH-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.55
Rot. Bonds8

About 7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide

7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide (PubChem CID 106298777) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide
PubChem CID106298777
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide
SMILESNCCCCCCC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C13H26N2O3/c14-8-4-2-1-3-5-12(17)15-13(11-16)6-9-18-10-7-13/h16H,1-11,14H2,(H,15,17)
InChIKeyPLGRVNADGIPJDH-UHFFFAOYSA-N
XLogP0.55
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethyl-1,4-dihydroxypentan-3-yl)-2-piperidin-2-ylacetamide
CID 17984049
6-amino-N-[1-(hydroxymethyl)cyclohexyl]hexanamide
CID 55086608
7-amino-N-[1-(hydroxymethyl)cyclopentyl]heptanamide
CID 62520503
7-amino-N-[3-(hydroxymethyl)pentan-3-yl]heptanamide
CID 62522120
7-amino-N-[1-(hydroxymethyl)cyclohexyl]heptanamide
CID 62553210
4-(2-aminoethyl)-N-(1-hydroxy-2-methylbutan-2-yl)heptanamide
CID 64549925
7-amino-N-(1-hydroxy-2-methylbutan-2-yl)heptanamide
CID 64550343
2-cyclopentyl-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954051
N-[4-(hydroxymethyl)oxan-4-yl]pentanamide
CID 103954062
N-[4-(hydroxymethyl)oxan-4-yl]hexanamide
CID 103954092
N-[4-(hydroxymethyl)oxan-4-yl]octanamide
CID 103954157
N-[4-(hydroxymethyl)oxan-4-yl]cyclopentanecarboxamide
CID 103954187

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide?
The IUPAC name of 7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide (CID 106298777) is 7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide.
What is the SMILES notation for 7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide?
The canonical SMILES for 7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide is NCCCCCCC(=O)NC1(CO)CCOCC1.
What is the InChIKey of 7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide?
The InChIKey is PLGRVNADGIPJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c14-8-4-2-1-3-5-12(17)15-13(11-16)6-9-18-10-7-13/h16H,1-11,14H2,(H,15,17).
What are the key properties of 7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide?
7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide has a molecular weight of 258.36 g/mol, XLogP of 0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide is sourced from PubChem (CID 106298777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).