2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide

C15H28N2O2 — CID 120793870

IUPAC2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide
SMILESC=CCCCCCN(C)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-3-4-5-6-7-10-17(2)15(18)14(16)13-8-11-19-12-9-13/h3,13-14H,1,4-12,16H2,2H3
InChIKeyIOAKFAGYGPBUOK-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.95
Rot. Bonds8

About 2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide

2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide (PubChem CID 120793870) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide
PubChem CID120793870
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide
SMILESC=CCCCCCN(C)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-3-4-5-6-7-10-17(2)15(18)14(16)13-8-11-19-12-9-13/h3,13-14H,1,4-12,16H2,2H3
InChIKeyIOAKFAGYGPBUOK-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide
CID 120794202
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 120801738
2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride
CID 120791531
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 120795230
2-amino-N-methyl-N-pent-4-enylbutanamide
CID 115734607
(2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide
CID 15511724
2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 120788646
3-amino-N-hept-6-enyl-N-methylcyclopentane-1-carboxamide
CID 119791641
1-hept-6-enyl-1,2-dimethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine
CID 109483289
(2R)-2-amino-N-methyl-N-pent-4-enylpentanamide
CID 103797423
(2S)-2-amino-N-hept-6-enyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119328123
3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxan-4-yloxy)propyl]guanidine
CID 109484377

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide (CID 120793870) is 2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide is C=CCCCCCN(C)C(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide?
The InChIKey is IOAKFAGYGPBUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-4-5-6-7-10-17(2)15(18)14(16)13-8-11-19-12-9-13/h3,13-14H,1,4-12,16H2,2H3.
What are the key properties of 2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide?
2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide has a molecular weight of 268.40 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120793870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).