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

C15H30N2O3 — CID 61274559

IUPAC7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide
SMILESNCCCCCCC(=O)NCCCOCC1CCCO1
InChIInChI=1S/C15H30N2O3/c16-9-4-2-1-3-8-15(18)17-10-6-11-19-13-14-7-5-12-20-14/h14H,1-13,16H2,(H,17,18)
InChIKeyGAOSYIIALMSFOM-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.60
Rot. Bonds12

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

7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide (PubChem CID 61274559) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide
PubChem CID61274559
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide
SMILESNCCCCCCC(=O)NCCCOCC1CCCO1
InChIInChI=1S/C15H30N2O3/c16-9-4-2-1-3-8-15(18)17-10-6-11-19-13-14-7-5-12-20-14/h14H,1-13,16H2,(H,17,18)
InChIKeyGAOSYIIALMSFOM-UHFFFAOYSA-N
XLogP1.60
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61275516
N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide
CID 88622123
2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate
CID 79345576
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
3-[[N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]amino]-N-propylpropanamide
CID 111408865
3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride
CID 120608330
7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide
CID 106310658
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79013082
2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79805275

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide?
The IUPAC name of 7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide (CID 61274559) is 7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide.
What is the SMILES notation for 7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide?
The canonical SMILES for 7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide is NCCCCCCC(=O)NCCCOCC1CCCO1.
What is the InChIKey of 7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide?
The InChIKey is GAOSYIIALMSFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c16-9-4-2-1-3-8-15(18)17-10-6-11-19-13-14-7-5-12-20-14/h14H,1-13,16H2,(H,17,18).
What are the key properties of 7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide?
7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide has a molecular weight of 286.42 g/mol, XLogP of 1.60, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide is sourced from PubChem (CID 61274559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).