N-[(2S)-1-[[(2S)-1-hydroxyhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]octanamide

C20H40N2O3 — CID 15021468

IUPACN-[(2S)-1-[[(2S)-1-hydroxyhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]octanamide
SMILESCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)CCCC
InChIInChI=1S/C20H40N2O3/c1-5-7-9-10-11-13-19(24)22-18(14-16(3)4)20(25)21-17(15-23)12-8-6-2/h16-18,23H,5-15H2,1-4H3,(H,21,25)(H,22,24)/t17-,18-/m0/s1
InChIKeyKSLPJESFLISDTC-ROUUACIJSA-N
MW356.55 g/mol
LogP3.55
Rot. Bonds15

About N-[(2S)-1-[[(2S)-1-hydroxyhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]octanamide

N-[(2S)-1-[[(2S)-1-hydroxyhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]octanamide (PubChem CID 15021468) has the molecular formula C20H40N2O3 and a molecular weight of 356.55 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-hydroxyhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]octanamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S)-1-hydroxyhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]octanamide
PubChem CID15021468
Molecular FormulaC20H40N2O3
Molecular Weight356.55 g/mol
Exact Mass356.30
IUPAC NameN-[(2S)-1-[[(2S)-1-hydroxyhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]octanamide
SMILESCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)CCCC
InChIInChI=1S/C20H40N2O3/c1-5-7-9-10-11-13-19(24)22-18(14-16(3)4)20(25)21-17(15-23)12-8-6-2/h16-18,23H,5-15H2,1-4H3,(H,21,25)(H,22,24)/t17-,18-/m0/s1
InChIKeyKSLPJESFLISDTC-ROUUACIJSA-N
XLogP3.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 53.55
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

(2S)-2-acetamido-N-(1-hydroxyhexan-2-yl)-4-methylpentanamide
CID 18659589
N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide
CID 101082096
11-[[2-(dodecanoylamino)-4-methylpentanoyl]amino]undecanoic acid
CID 72758700
(2S)-4-methyl-2-(octanoylamino)pentanoic acid
CID 15021466
(2S)-4-methyl-2-(tetracosanoylamino)pentanoic acid
CID 171116901
(2S)-4-methyl-2-(pentadecanoylamino)pentanoic acid
CID 54331833
N-[(2S)-4-methyl-1-(octylamino)-1-oxopentan-2-yl]octadecanamide
CID 135364151
N-[1-(dodecylamino)-4-methyl-1-oxopentan-2-yl]docosanamide
CID 135364067
N-[(2S)-1-(dodecylamino)-4-methyl-1-oxopentan-2-yl]hexadecanamide
CID 135364086
N-[1-(dodecylamino)-4-methyl-1-oxopentan-2-yl]hexadecanamide
CID 135364087
2-[[(2S)-4-methyl-2-(undecanoylamino)pentanoyl]amino]acetic acid
CID 101117017
N-(1-hydroxyhexan-2-yl)icos-11-enamide
CID 173265163

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-hydroxyhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]octanamide?
The IUPAC name of N-[(2S)-1-[[(2S)-1-hydroxyhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]octanamide (CID 15021468) is N-[(2S)-1-[[(2S)-1-hydroxyhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]octanamide.
What is the SMILES notation for N-[(2S)-1-[[(2S)-1-hydroxyhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]octanamide?
The canonical SMILES for N-[(2S)-1-[[(2S)-1-hydroxyhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]octanamide is CCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)CCCC.
What is the InChIKey of N-[(2S)-1-[[(2S)-1-hydroxyhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]octanamide?
The InChIKey is KSLPJESFLISDTC-ROUUACIJSA-N. The full InChI is InChI=1S/C20H40N2O3/c1-5-7-9-10-11-13-19(24)22-18(14-16(3)4)20(25)21-17(15-23)12-8-6-2/h16-18,23H,5-15H2,1-4H3,(H,21,25)(H,22,24)/t17-,18-/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S)-1-hydroxyhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]octanamide?
N-[(2S)-1-[[(2S)-1-hydroxyhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]octanamide has a molecular weight of 356.55 g/mol, XLogP of 3.55, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S)-1-hydroxyhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]octanamide is sourced from PubChem (CID 15021468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).