N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide

C19H37N3O3 — CID 155445276

IUPACN-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide
SMILESCC(C)CNC(=O)CCCCCCCCC(=O)NCC(=O)NC(C)C
InChIInChI=1S/C19H37N3O3/c1-15(2)13-20-17(23)11-9-7-5-6-8-10-12-18(24)21-14-19(25)22-16(3)4/h15-16H,5-14H2,1-4H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyQVCYVWSRUBBAIP-UHFFFAOYSA-N
MW355.52 g/mol
LogP2.52
Rot. Bonds14

About N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide

N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide (PubChem CID 155445276) has the molecular formula C19H37N3O3 and a molecular weight of 355.52 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide
PubChem CID155445276
Molecular FormulaC19H37N3O3
Molecular Weight355.52 g/mol
Exact Mass355.28
IUPAC NameN-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide
SMILESCC(C)CNC(=O)CCCCCCCCC(=O)NCC(=O)NC(C)C
InChIInChI=1S/C19H37N3O3/c1-15(2)13-20-17(23)11-9-7-5-6-8-10-12-18(24)21-14-19(25)22-16(3)4/h15-16H,5-14H2,1-4H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyQVCYVWSRUBBAIP-UHFFFAOYSA-N
XLogP2.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 52.52
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

6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide
CID 43515188
6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid
CID 43567860
N,N'-di(propan-2-yl)decanediamide
CID 58997511
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
N-(2-methylpropyl)-6-piperidin-1-ylhexanamide
CID 57093766
N-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide
CID 67882668
11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide
CID 138660324
6-(2,5-dioxopyrrol-1-yl)-N-[2-[[(2S)-1-[[2-(2-methylpropylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide;ethene;molecular hydrogen
CID 171831175
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
(Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide
CID 70372311

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide?
The IUPAC name of N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide (CID 155445276) is N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide.
What is the SMILES notation for N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide?
The canonical SMILES for N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide is CC(C)CNC(=O)CCCCCCCCC(=O)NCC(=O)NC(C)C.
What is the InChIKey of N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide?
The InChIKey is QVCYVWSRUBBAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O3/c1-15(2)13-20-17(23)11-9-7-5-6-8-10-12-18(24)21-14-19(25)22-16(3)4/h15-16H,5-14H2,1-4H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide?
N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide has a molecular weight of 355.52 g/mol, XLogP of 2.52, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide is sourced from PubChem (CID 155445276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).