3-iodo-N,N-bis(3-methylbutyl)benzamide

C17H26INO — CID 60653047

IUPAC3-iodo-N,N-bis(3-methylbutyl)benzamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cccc(I)c1
InChIInChI=1S/C17H26INO/c1-13(2)8-10-19(11-9-14(3)4)17(20)15-6-5-7-16(18)12-15/h5-7,12-14H,8-11H2,1-4H3
InChIKeySHQNDXWROWFKBS-UHFFFAOYSA-N
MW387.31 g/mol
LogP4.83
Rot. Bonds7

About 3-iodo-N,N-bis(3-methylbutyl)benzamide

3-iodo-N,N-bis(3-methylbutyl)benzamide (PubChem CID 60653047) has the molecular formula C17H26INO and a molecular weight of 387.31 g/mol. Its IUPAC name is 3-iodo-N,N-bis(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-iodo-N,N-bis(3-methylbutyl)benzamide
PubChem CID60653047
Molecular FormulaC17H26INO
Molecular Weight387.31 g/mol
Exact Mass387.11
IUPAC Name3-iodo-N,N-bis(3-methylbutyl)benzamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cccc(I)c1
InChIInChI=1S/C17H26INO/c1-13(2)8-10-19(11-9-14(3)4)17(20)15-6-5-7-16(18)12-15/h5-7,12-14H,8-11H2,1-4H3
InChIKeySHQNDXWROWFKBS-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,N-bis(3-methylbutyl)benzamide
CID 60939254
N-(2-cyanoethyl)-3-iodo-N-(2-methylpropyl)benzamide
CID 60654556
3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide
CID 102978276
3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54938230
N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide
CID 76917368
1-(3-iodophenyl)-5-methylhexan-1-one
CID 115795463
1-(3-iodophenyl)-3-methylbutan-1-one
CID 114962386
3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide
CID 60939470
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide
CID 18733730
4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride
CID 119672598
3-[ethyl-(3-iodobenzoyl)amino]butanoic acid
CID 62821910
N-(2,2-dimethylpropyl)-3-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 56531059

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N,N-bis(3-methylbutyl)benzamide?
The IUPAC name of 3-iodo-N,N-bis(3-methylbutyl)benzamide (CID 60653047) is 3-iodo-N,N-bis(3-methylbutyl)benzamide.
What is the SMILES notation for 3-iodo-N,N-bis(3-methylbutyl)benzamide?
The canonical SMILES for 3-iodo-N,N-bis(3-methylbutyl)benzamide is CC(C)CCN(CCC(C)C)C(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N,N-bis(3-methylbutyl)benzamide?
The InChIKey is SHQNDXWROWFKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26INO/c1-13(2)8-10-19(11-9-14(3)4)17(20)15-6-5-7-16(18)12-15/h5-7,12-14H,8-11H2,1-4H3.
What are the key properties of 3-iodo-N,N-bis(3-methylbutyl)benzamide?
3-iodo-N,N-bis(3-methylbutyl)benzamide has a molecular weight of 387.31 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N,N-bis(3-methylbutyl)benzamide is sourced from PubChem (CID 60653047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).