N-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide

C19H38N2O2 — CID 126680891

IUPACN-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide
SMILESCC(CCCCNC(=O)C(C)(C)C)C(C)(C)NC(=O)C(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-14(19(8,9)21-16(23)18(5,6)7)12-10-11-13-20-15(22)17(2,3)4/h14H,10-13H2,1-9H3,(H,20,22)(H,21,23)
InChIKeySFANQFQZTBQFID-UHFFFAOYSA-N
MW326.53 g/mol
LogP3.90
Rot. Bonds7

About N-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide

N-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide (PubChem CID 126680891) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is N-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide
PubChem CID126680891
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC NameN-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide
SMILESCC(CCCCNC(=O)C(C)(C)C)C(C)(C)NC(=O)C(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-14(19(8,9)21-16(23)18(5,6)7)12-10-11-13-20-15(22)17(2,3)4/h14H,10-13H2,1-9H3,(H,20,22)(H,21,23)
InChIKeySFANQFQZTBQFID-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.90
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

ethyl N-[7-(ethoxycarbonylamino)-2,3-dimethylheptan-2-yl]carbamate
CID 22635139
2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane
CID 159495091
N-[6,6-dimethyl-5-(2-methylpropanoylamino)heptyl]-2,2-dimethylpropanamide
CID 155090343
(4-methyl-3-oxopent-4-en-2-yl) N-[2,3-dimethyl-7-[(4-methyl-3-oxopent-4-en-2-yl)oxycarbonylamino]heptan-2-yl]carbamate
CID 129094156
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
2-hydroxy-2-methyl-N-(5-methylhexyl)propanamide
CID 103430276
2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 71936802
6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide
CID 134575982
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
N-[3-[(3-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 115884650
3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide
CID 65269830
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide (CID 126680891) is N-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide is CC(CCCCNC(=O)C(C)(C)C)C(C)(C)NC(=O)C(C)(C)C.
What is the InChIKey of N-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide?
The InChIKey is SFANQFQZTBQFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-14(19(8,9)21-16(23)18(5,6)7)12-10-11-13-20-15(22)17(2,3)4/h14H,10-13H2,1-9H3,(H,20,22)(H,21,23).
What are the key properties of N-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide?
N-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide has a molecular weight of 326.53 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 126680891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).