N-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide

C16H29N3O3 — CID 167269241

IUPACN-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide
SMILESC=C1CCCCCC(OCC(=O)NCCC(=O)NCCN)C1
InChIInChI=1S/C16H29N3O3/c1-13-5-3-2-4-6-14(11-13)22-12-16(21)18-9-7-15(20)19-10-8-17/h14H,1-12,17H2,(H,18,21)(H,19,20)
InChIKeyIZYIPITVPHPBEF-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.86
Rot. Bonds8

About N-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide

N-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide (PubChem CID 167269241) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide
PubChem CID167269241
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide
SMILESC=C1CCCCCC(OCC(=O)NCCC(=O)NCCN)C1
InChIInChI=1S/C16H29N3O3/c1-13-5-3-2-4-6-14(11-13)22-12-16(21)18-9-7-15(20)19-10-8-17/h14H,1-12,17H2,(H,18,21)(H,19,20)
InChIKeyIZYIPITVPHPBEF-UHFFFAOYSA-N
XLogP0.86
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 123295112
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N-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide
CID 156533045
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride
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2-cyclopentyloxy-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119503016
N-(2-cyclohexyloxyethyl)-3-(cyclopropylamino)propanamide
CID 63827585
2-cyclopentyloxyacetohydrazide
CID 60782273
2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid
CID 154992981
6-amino-N-(3-cyclohexyloxypropyl)-4,4-dimethylhexanamide
CID 65292212
6-amino-N-(2-cyclopentyloxyethyl)-4,4-dimethylhexanamide
CID 65291239
N-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide
CID 47058267

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide?
The IUPAC name of N-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide (CID 167269241) is N-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide is C=C1CCCCCC(OCC(=O)NCCC(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide?
The InChIKey is IZYIPITVPHPBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-13-5-3-2-4-6-14(11-13)22-12-16(21)18-9-7-15(20)19-10-8-17/h14H,1-12,17H2,(H,18,21)(H,19,20).
What are the key properties of N-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide?
N-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide has a molecular weight of 311.43 g/mol, XLogP of 0.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide is sourced from PubChem (CID 167269241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).