4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide

C11H23N3O3 — CID 112674089

IUPAC4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide
SMILESCCCC(CCN)CCC(=O)NOCC(N)=O
InChIInChI=1S/C11H23N3O3/c1-2-3-9(6-7-12)4-5-11(16)14-17-8-10(13)15/h9H,2-8,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyJBJBDKMVQXKDBE-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.06
Rot. Bonds10

About 4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide

4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide (PubChem CID 112674089) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide
PubChem CID112674089
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide
SMILESCCCC(CCN)CCC(=O)NOCC(N)=O
InChIInChI=1S/C11H23N3O3/c1-2-3-9(6-7-12)4-5-11(16)14-17-8-10(13)15/h9H,2-8,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyJBJBDKMVQXKDBE-UHFFFAOYSA-N
XLogP0.06
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethoxy)butanamide
CID 112550491
6-amino-N-ethoxy-4-ethylhexanamide
CID 64974724
N-(2-amino-2-oxoethoxy)pentanamide
CID 112550822
4-amino-N-(2-amino-2-oxoethoxy)butanamide
CID 112674157
7-(2-aminoethyl)-2-methyldecan-4-one
CID 116582797
4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide
CID 114942376
4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide
CID 82941851
2-[4-(2-aminoethyl)heptanoylamino]-2-methylbutanoic acid
CID 79798912
N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide
CID 112674083
7-amino-N-(2-amino-2-oxoethoxy)heptanamide
CID 112674126
4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide
CID 106286630
(3S)-6-methoxy-3-propylhept-6-en-1-amine
CID 88673571

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide (CID 112674089) is 4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide is CCCC(CCN)CCC(=O)NOCC(N)=O.
What is the InChIKey of 4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide?
The InChIKey is JBJBDKMVQXKDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-2-3-9(6-7-12)4-5-11(16)14-17-8-10(13)15/h9H,2-8,12H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide?
4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide has a molecular weight of 245.32 g/mol, XLogP of 0.06, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide is sourced from PubChem (CID 112674089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).