N-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide

C18H36N2O2 — CID 155090343

IUPACN-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide
SMILESCC(C)C(=O)NC(CCCCNC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H36N2O2/c1-13(2)15(21)20-14(17(3,4)5)11-9-10-12-19-16(22)18(6,7)8/h13-14H,9-12H2,1-8H3,(H,19,22)(H,20,21)
InChIKeyQXRWOJBFQUIRQD-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.51
Rot. Bonds7

About N-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide

N-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide (PubChem CID 155090343) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is N-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide
PubChem CID155090343
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC NameN-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide
SMILESCC(C)C(=O)NC(CCCCNC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H36N2O2/c1-13(2)15(21)20-14(17(3,4)5)11-9-10-12-19-16(22)18(6,7)8/h13-14H,9-12H2,1-8H3,(H,19,22)(H,20,21)
InChIKeyQXRWOJBFQUIRQD-UHFFFAOYSA-N
XLogP3.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.51
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

2-methyl-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide
CID 90347352
N-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide
CID 126680891
6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide
CID 134575982
2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane
CID 159495091
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
2-hydroxy-2-methyl-N-(5-methylhexyl)propanamide
CID 103430276
N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 103750764
N-[1-(4-hydroxybutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 106843633
3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide
CID 65269830
2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 71936802
2,2-dimethyl-N-(2-methylpropanoyl)propanamide
CID 130010818

Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide (CID 155090343) is N-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide is CC(C)C(=O)NC(CCCCNC(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide?
The InChIKey is QXRWOJBFQUIRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-13(2)15(21)20-14(17(3,4)5)11-9-10-12-19-16(22)18(6,7)8/h13-14H,9-12H2,1-8H3,(H,19,22)(H,20,21).
What are the key properties of N-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide?
N-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide has a molecular weight of 312.50 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 155090343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).