N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide

C22H44N2O2 — CID 101082096

IUPACN-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)NCCCC
InChIInChI=1S/C22H44N2O2/c1-5-7-9-10-11-12-13-14-15-16-21(25)24-20(18-19(3)4)22(26)23-17-8-6-2/h19-20H,5-18H2,1-4H3,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKeyFCVOGJZACCUEAP-FQEVSTJZSA-N
MW368.61 g/mol
LogP5.35
Rot. Bonds17

About N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide

N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide (PubChem CID 101082096) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide.

Molecular Properties

Compound NameN-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide
PubChem CID101082096
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC NameN-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)NCCCC
InChIInChI=1S/C22H44N2O2/c1-5-7-9-10-11-12-13-14-15-16-21(25)24-20(18-19(3)4)22(26)23-17-8-6-2/h19-20H,5-18H2,1-4H3,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKeyFCVOGJZACCUEAP-FQEVSTJZSA-N
XLogP5.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
11-[[2-(dodecanoylamino)-4-methylpentanoyl]amino]undecanoic acid
CID 72758700
methyl 11-[[(2S)-2-(dodecanoylamino)-4-methylpentanoyl]amino]undecanoate
CID 11168170
2-[[(2S)-4-methyl-2-(undecanoylamino)pentanoyl]amino]acetic acid
CID 101117017
(2S)-N,N'-dibutyl-2-(octanoylamino)pentanediamide
CID 71362769
(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
(2S)-2-(dodecanoylamino)-N,N'-dioctylpentanediamide
CID 71380986

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide?
The IUPAC name of N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide (CID 101082096) is N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide.
What is the SMILES notation for N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide?
The canonical SMILES for N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide is CCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)NCCCC.
What is the InChIKey of N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide?
The InChIKey is FCVOGJZACCUEAP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H44N2O2/c1-5-7-9-10-11-12-13-14-15-16-21(25)24-20(18-19(3)4)22(26)23-17-8-6-2/h19-20H,5-18H2,1-4H3,(H,23,26)(H,24,25)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide?
N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide has a molecular weight of 368.61 g/mol, XLogP of 5.35, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide is sourced from PubChem (CID 101082096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).