N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide

C21H43N3O2 — CID 102194596

IUPACN-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide
SMILESCCCCCCCCCCCCCCCCC(=O)NCC(=O)NCCN
InChIInChI=1S/C21H43N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(25)24-19-21(26)23-18-17-22/h2-19,22H2,1H3,(H,23,26)(H,24,25)
InChIKeyKXVPKAAEILZBAT-UHFFFAOYSA-N
MW369.59 g/mol
LogP4.05
Rot. Bonds19

About N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide

N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide (PubChem CID 102194596) has the molecular formula C21H43N3O2 and a molecular weight of 369.59 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide
PubChem CID102194596
Molecular FormulaC21H43N3O2
Molecular Weight369.59 g/mol
Exact Mass369.34
IUPAC NameN-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide
SMILESCCCCCCCCCCCCCCCCC(=O)NCC(=O)NCCN
InChIInChI=1S/C21H43N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(25)24-19-21(26)23-18-17-22/h2-19,22H2,1H3,(H,23,26)(H,24,25)
InChIKeyKXVPKAAEILZBAT-UHFFFAOYSA-N
XLogP4.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.59
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 13028008
acetic acid;N-(2-aminoethyl)octanamide
CID 161257212
N-[2-(nonylamino)-2-oxoethyl]decanamide
CID 166872339
N-[2-(2-aminoethylamino)ethyl]nonanamide
CID 11959333
N-[2-(2-aminoethylamino)ethyl]heptadecanamide
CID 13469785
N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide
CID 71344394
N,N'-bis(2-aminoethyl)-7,8-didecyltetradecanediamide
CID 89347828
N,N'-bis(2-aminoethyl)-10,11-dioctylicosanediamide
CID 58975602
N-(2-aminoethyl)hexadecanamide;(Z)-docos-13-enoic acid
CID 174758491
N-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide
CID 11699408
N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide
CID 175205777
11-amino-N-butylundecanamide;11-[[2-(hexanoylamino)acetyl]amino]-N-sulfanylundecanamide
CID 145001937

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide?
The IUPAC name of N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide (CID 102194596) is N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide.
What is the SMILES notation for N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide?
The canonical SMILES for N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide is CCCCCCCCCCCCCCCCC(=O)NCC(=O)NCCN.
What is the InChIKey of N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide?
The InChIKey is KXVPKAAEILZBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(25)24-19-21(26)23-18-17-22/h2-19,22H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide?
N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide has a molecular weight of 369.59 g/mol, XLogP of 4.05, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide is sourced from PubChem (CID 102194596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).