7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide

C12H26N2O3 — CID 106310658

IUPAC7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide
SMILESNCCCCCCC(=O)NCCCOCCO
InChIInChI=1S/C12H26N2O3/c13-7-4-2-1-3-6-12(16)14-8-5-10-17-11-9-15/h15H,1-11,13H2,(H,14,16)
InChIKeyJHRAQGLXSBMHPH-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.41
Rot. Bonds12

About 7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide

7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide (PubChem CID 106310658) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide
PubChem CID106310658
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide
SMILESNCCCCCCC(=O)NCCCOCCO
InChIInChI=1S/C12H26N2O3/c13-7-4-2-1-3-6-12(16)14-8-5-10-17-11-9-15/h15H,1-11,13H2,(H,14,16)
InChIKeyJHRAQGLXSBMHPH-UHFFFAOYSA-N
XLogP0.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.41
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

6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
7-amino-N-(3-methoxypropyl)heptanamide
CID 43153320
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768
N-[3-(2-aminoethoxy)propyl]dodecanamide
CID 106307810
CID 170598419
CID 170598419
3-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61274475
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-9-hydroxynonanamide
CID 155740106
4-amino-N-[3-(2-methoxyethoxy)propyl]butanamide;hydrochloride
CID 119273607
5-amino-N-[3-(2-hydroxyethoxy)propyl]-4-methylpentanamide
CID 106310722
4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
CID 106310740
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide?
The IUPAC name of 7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide (CID 106310658) is 7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide.
What is the SMILES notation for 7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide?
The canonical SMILES for 7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide is NCCCCCCC(=O)NCCCOCCO.
What is the InChIKey of 7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide?
The InChIKey is JHRAQGLXSBMHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c13-7-4-2-1-3-6-12(16)14-8-5-10-17-11-9-15/h15H,1-11,13H2,(H,14,16).
What are the key properties of 7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide?
7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide has a molecular weight of 246.35 g/mol, XLogP of 0.41, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide is sourced from PubChem (CID 106310658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).