N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide

C19H39N3O2 — CID 121336815

IUPACN-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(CCCN)C(=O)NCC
InChIInChI=1S/C19H39N3O2/c1-3-5-6-7-8-9-10-11-12-15-18(23)22-17(14-13-16-20)19(24)21-4-2/h17H,3-16,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyNWOZMNUCANZXED-UHFFFAOYSA-N
MW341.54 g/mol
LogP3.27
Rot. Bonds16

About N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide

N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide (PubChem CID 121336815) has the molecular formula C19H39N3O2 and a molecular weight of 341.54 g/mol. Its IUPAC name is N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide.

Molecular Properties

Compound NameN-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide
PubChem CID121336815
Molecular FormulaC19H39N3O2
Molecular Weight341.54 g/mol
Exact Mass341.30
IUPAC NameN-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(CCCN)C(=O)NCC
InChIInChI=1S/C19H39N3O2/c1-3-5-6-7-8-9-10-11-12-15-18(23)22-17(14-13-16-20)19(24)21-4-2/h17H,3-16,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyNWOZMNUCANZXED-UHFFFAOYSA-N
XLogP3.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 53.27
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

N-[5-amino-1-(dodecylamino)-1-oxopentan-2-yl]docosanamide;hydrochloride
CID 135364007
N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 122633004
N-[6-amino-1-[6-[[6-amino-2-(dodecanoylamino)hexanoyl]amino]hexylamino]-1-oxohexan-2-yl]dodecanamide
CID 10010617
(2S)-5-amino-2-(decanoylamino)pentanoic acid
CID 54420497
6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid
CID 24967835
N-[1-(2-aminoethylamino)-1-oxohexan-2-yl]-2-(octanoylamino)octanamide
CID 90159636
N-[(2S)-5-amino-1-[[(2S)-1,5-diamino-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]hexadecanamide
CID 73212161
N-[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]decanamide
CID 73212204
12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide
CID 147465259
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 53323362
N-[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 53325952
(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide?
The IUPAC name of N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide (CID 121336815) is N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide.
What is the SMILES notation for N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide?
The canonical SMILES for N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide is CCCCCCCCCCCC(=O)NC(CCCN)C(=O)NCC.
What is the InChIKey of N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide?
The InChIKey is NWOZMNUCANZXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O2/c1-3-5-6-7-8-9-10-11-12-15-18(23)22-17(14-13-16-20)19(24)21-4-2/h17H,3-16,20H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide?
N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide has a molecular weight of 341.54 g/mol, XLogP of 3.27, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide is sourced from PubChem (CID 121336815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).