7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide

C13H27N3O2 — CID 54878536

IUPAC7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide
SMILESCCNC(=O)CN(CC)C(=O)CCCCCCN
InChIInChI=1S/C13H27N3O2/c1-3-15-12(17)11-16(4-2)13(18)9-7-5-6-8-10-14/h3-11,14H2,1-2H3,(H,15,17)
InChIKeyYHAJZYMSATUQCK-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.88
Rot. Bonds10

About 7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide

7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide (PubChem CID 54878536) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide
PubChem CID54878536
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide
SMILESCCNC(=O)CN(CC)C(=O)CCCCCCN
InChIInChI=1S/C13H27N3O2/c1-3-15-12(17)11-16(4-2)13(18)9-7-5-6-8-10-14/h3-11,14H2,1-2H3,(H,15,17)
InChIKeyYHAJZYMSATUQCK-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 60937942
7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide
CID 54869086
6-amino-N-ethyl-N-(2-methylprop-2-enyl)hexanamide
CID 24701503
4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 43579108
6-amino-N-ethyl-N-(2-hydroxyethyl)hexanamide
CID 60944687
3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide
CID 89192424
7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide
CID 102993033
N,N-diethyloctadecanamide;propan-1-amine;hydrobromide
CID 174816877
N-(3-aminopropyl)-N-ethyldecanamide
CID 65447961
3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 61107025
5-amino-N-ethyl-N-(2-methylbutyl)pentanamide
CID 79470392
3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid
CID 62852815

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide?
The IUPAC name of 7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide (CID 54878536) is 7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide.
What is the SMILES notation for 7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide?
The canonical SMILES for 7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide is CCNC(=O)CN(CC)C(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide?
The InChIKey is YHAJZYMSATUQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-15-12(17)11-16(4-2)13(18)9-7-5-6-8-10-14/h3-11,14H2,1-2H3,(H,15,17).
What are the key properties of 7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide?
7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide has a molecular weight of 257.38 g/mol, XLogP of 0.88, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide is sourced from PubChem (CID 54878536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).