N-[2-hydroxy-2-[methyl-(5-methyl-2-oxohexan-3-yl)amino]ethyl]-N-methylpropanamide

C14H28N2O3 — CID 123183038

IUPACN-[2-hydroxy-2-[methyl-(5-methyl-2-oxohexan-3-yl)amino]ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CC(O)N(C)C(CC(C)C)C(C)=O
InChIInChI=1S/C14H28N2O3/c1-7-13(18)15(5)9-14(19)16(6)12(11(4)17)8-10(2)3/h10,12,14,19H,7-9H2,1-6H3
InChIKeyZPNICSZJSJAODC-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.11
Rot. Bonds8

About N-[2-hydroxy-2-[methyl-(5-methyl-2-oxohexan-3-yl)amino]ethyl]-N-methylpropanamide

N-[2-hydroxy-2-[methyl-(5-methyl-2-oxohexan-3-yl)amino]ethyl]-N-methylpropanamide (PubChem CID 123183038) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[2-hydroxy-2-[methyl-(5-methyl-2-oxohexan-3-yl)amino]ethyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[methyl-(5-methyl-2-oxohexan-3-yl)amino]ethyl]-N-methylpropanamide
PubChem CID123183038
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-[2-hydroxy-2-[methyl-(5-methyl-2-oxohexan-3-yl)amino]ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CC(O)N(C)C(CC(C)C)C(C)=O
InChIInChI=1S/C14H28N2O3/c1-7-13(18)15(5)9-14(19)16(6)12(11(4)17)8-10(2)3/h10,12,14,19H,7-9H2,1-6H3
InChIKeyZPNICSZJSJAODC-UHFFFAOYSA-N
XLogP1.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
ethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one
CID 142312134
N-(2-bromopropyl)-N-methylpropanamide
CID 80665081
N-methyl-N-(2-methylbutyl)propanamide
CID 20674100
N-(2-hydroxypropyl)-N-methylpropanamide;N-methyl-N-(2-oxoethyl)propanamide
CID 54420661
ethane;(E)-N-methyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]but-2-enamide
CID 156846174
N,2-dimethyl-N-[2-[methyl(propanoyl)amino]ethyl]propanamide
CID 139308072
4-methyl-2-[propanoyl(sulfanyl)amino]pentanoic acid
CID 87491523
(2S)-N-methyl-2-(methylamino)-N-[2-[methyl-[(3S)-5-methyl-2-oxohexan-3-yl]amino]-2-oxoethyl]butanamide
CID 90163810
N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide
CID 159278816
N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide
CID 156819631
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[methyl-(5-methyl-2-oxohexan-3-yl)amino]ethyl]-N-methylpropanamide?
The IUPAC name of N-[2-hydroxy-2-[methyl-(5-methyl-2-oxohexan-3-yl)amino]ethyl]-N-methylpropanamide (CID 123183038) is N-[2-hydroxy-2-[methyl-(5-methyl-2-oxohexan-3-yl)amino]ethyl]-N-methylpropanamide.
What is the SMILES notation for N-[2-hydroxy-2-[methyl-(5-methyl-2-oxohexan-3-yl)amino]ethyl]-N-methylpropanamide?
The canonical SMILES for N-[2-hydroxy-2-[methyl-(5-methyl-2-oxohexan-3-yl)amino]ethyl]-N-methylpropanamide is CCC(=O)N(C)CC(O)N(C)C(CC(C)C)C(C)=O.
What is the InChIKey of N-[2-hydroxy-2-[methyl-(5-methyl-2-oxohexan-3-yl)amino]ethyl]-N-methylpropanamide?
The InChIKey is ZPNICSZJSJAODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-7-13(18)15(5)9-14(19)16(6)12(11(4)17)8-10(2)3/h10,12,14,19H,7-9H2,1-6H3.
What are the key properties of N-[2-hydroxy-2-[methyl-(5-methyl-2-oxohexan-3-yl)amino]ethyl]-N-methylpropanamide?
N-[2-hydroxy-2-[methyl-(5-methyl-2-oxohexan-3-yl)amino]ethyl]-N-methylpropanamide has a molecular weight of 272.39 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[methyl-(5-methyl-2-oxohexan-3-yl)amino]ethyl]-N-methylpropanamide is sourced from PubChem (CID 123183038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).