7-amino-N-(2-amino-2-oxoethoxy)heptanamide

C9H19N3O3 — CID 112674126

IUPAC7-amino-N-(2-amino-2-oxoethoxy)heptanamide
SMILESNCCCCCCC(=O)NOCC(N)=O
InChIInChI=1S/C9H19N3O3/c10-6-4-2-1-3-5-9(14)12-15-7-8(11)13/h1-7,10H2,(H2,11,13)(H,12,14)
InChIKeyPHLGCYWTPQTQHT-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.57
Rot. Bonds9

About 7-amino-N-(2-amino-2-oxoethoxy)heptanamide

7-amino-N-(2-amino-2-oxoethoxy)heptanamide (PubChem CID 112674126) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 7-amino-N-(2-amino-2-oxoethoxy)heptanamide.

Molecular Properties

Compound Name7-amino-N-(2-amino-2-oxoethoxy)heptanamide
PubChem CID112674126
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name7-amino-N-(2-amino-2-oxoethoxy)heptanamide
SMILESNCCCCCCC(=O)NOCC(N)=O
InChIInChI=1S/C9H19N3O3/c10-6-4-2-1-3-5-9(14)12-15-7-8(11)13/h1-7,10H2,(H2,11,13)(H,12,14)
InChIKeyPHLGCYWTPQTQHT-UHFFFAOYSA-N
XLogP-0.57
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-amino-2-oxoethoxy)butanamide
CID 112674157
N-(2-amino-2-oxoethoxy)pentanamide
CID 112550822
6-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]hexanamide
CID 106236522
N-(2-amino-2-oxoethoxy)butanamide
CID 112550491
16-aminohexadecanamide
CID 86033165
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
20-amino-N-hydroxyicosanamide
CID 87686702
14-amino-N-hydroxytetradecanamide
CID 87686192
27-amino-N-hydroxyheptacosanamide
CID 87684790
7-amino-N-phenylmethoxyheptanamide
CID 59535540
N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide
CID 112674083
N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide
CID 112551095

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-amino-2-oxoethoxy)heptanamide?
The IUPAC name of 7-amino-N-(2-amino-2-oxoethoxy)heptanamide (CID 112674126) is 7-amino-N-(2-amino-2-oxoethoxy)heptanamide.
What is the SMILES notation for 7-amino-N-(2-amino-2-oxoethoxy)heptanamide?
The canonical SMILES for 7-amino-N-(2-amino-2-oxoethoxy)heptanamide is NCCCCCCC(=O)NOCC(N)=O.
What is the InChIKey of 7-amino-N-(2-amino-2-oxoethoxy)heptanamide?
The InChIKey is PHLGCYWTPQTQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c10-6-4-2-1-3-5-9(14)12-15-7-8(11)13/h1-7,10H2,(H2,11,13)(H,12,14).
What are the key properties of 7-amino-N-(2-amino-2-oxoethoxy)heptanamide?
7-amino-N-(2-amino-2-oxoethoxy)heptanamide has a molecular weight of 217.27 g/mol, XLogP of -0.57, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-amino-2-oxoethoxy)heptanamide is sourced from PubChem (CID 112674126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).