N-[7-[(2-iodoacetyl)amino]-2,6,6-trimethylheptan-2-yl]-3,3-dimethylbutanamide

C18H35IN2O2 — CID 166788419

IUPACN-[7-[(2-iodoacetyl)amino]-2,6,6-trimethylheptan-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC(C)(C)CCCC(C)(C)CNC(=O)CI
InChIInChI=1S/C18H35IN2O2/c1-16(2,3)11-14(22)21-18(6,7)10-8-9-17(4,5)13-20-15(23)12-19/h8-13H2,1-7H3,(H,20,23)(H,21,22)
InChIKeyPGVMQBGQVUTLIL-UHFFFAOYSA-N
MW438.39 g/mol
LogP4.07
Rot. Bonds9

About N-[7-[(2-iodoacetyl)amino]-2,6,6-trimethylheptan-2-yl]-3,3-dimethylbutanamide

N-[7-[(2-iodoacetyl)amino]-2,6,6-trimethylheptan-2-yl]-3,3-dimethylbutanamide (PubChem CID 166788419) has the molecular formula C18H35IN2O2 and a molecular weight of 438.39 g/mol. Its IUPAC name is N-[7-[(2-iodoacetyl)amino]-2,6,6-trimethylheptan-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[7-[(2-iodoacetyl)amino]-2,6,6-trimethylheptan-2-yl]-3,3-dimethylbutanamide
PubChem CID166788419
Molecular FormulaC18H35IN2O2
Molecular Weight438.39 g/mol
Exact Mass438.17
IUPAC NameN-[7-[(2-iodoacetyl)amino]-2,6,6-trimethylheptan-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC(C)(C)CCCC(C)(C)CNC(=O)CI
InChIInChI=1S/C18H35IN2O2/c1-16(2,3)11-14(22)21-18(6,7)10-8-9-17(4,5)13-20-15(23)12-19/h8-13H2,1-7H3,(H,20,23)(H,21,22)
InChIKeyPGVMQBGQVUTLIL-UHFFFAOYSA-N
XLogP4.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 58875139
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide
CID 106148146
N-[(2R)-2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropyl]-3,3-dimethylbutanamide
CID 95768929
2-iodo-N-(2,2,4,4-tetramethylhept-6-ynyl)acetamide
CID 174245510
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148100
N-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 114149552
N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605551
3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106146044
N-(6-iodohexyl)-3,3-dimethylbutanamide
CID 107848022
N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 103899932
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312
3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide
CID 115155111

Frequently Asked Questions

What is the IUPAC name of N-[7-[(2-iodoacetyl)amino]-2,6,6-trimethylheptan-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[7-[(2-iodoacetyl)amino]-2,6,6-trimethylheptan-2-yl]-3,3-dimethylbutanamide (CID 166788419) is N-[7-[(2-iodoacetyl)amino]-2,6,6-trimethylheptan-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[7-[(2-iodoacetyl)amino]-2,6,6-trimethylheptan-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[7-[(2-iodoacetyl)amino]-2,6,6-trimethylheptan-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC(C)(C)CCCC(C)(C)CNC(=O)CI.
What is the InChIKey of N-[7-[(2-iodoacetyl)amino]-2,6,6-trimethylheptan-2-yl]-3,3-dimethylbutanamide?
The InChIKey is PGVMQBGQVUTLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35IN2O2/c1-16(2,3)11-14(22)21-18(6,7)10-8-9-17(4,5)13-20-15(23)12-19/h8-13H2,1-7H3,(H,20,23)(H,21,22).
What are the key properties of N-[7-[(2-iodoacetyl)amino]-2,6,6-trimethylheptan-2-yl]-3,3-dimethylbutanamide?
N-[7-[(2-iodoacetyl)amino]-2,6,6-trimethylheptan-2-yl]-3,3-dimethylbutanamide has a molecular weight of 438.39 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(2-iodoacetyl)amino]-2,6,6-trimethylheptan-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 166788419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).