N,N-diethyl-3,5-di(propan-2-yl)benzamide

C17H27NO — CID 71210847

IUPACN,N-diethyl-3,5-di(propan-2-yl)benzamide
SMILESCCN(CC)C(=O)c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C17H27NO/c1-7-18(8-2)17(19)16-10-14(12(3)4)9-15(11-16)13(5)6/h9-13H,7-8H2,1-6H3
InChIKeySUFUISVVDYKPNA-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.42
Rot. Bonds5

About N,N-diethyl-3,5-di(propan-2-yl)benzamide

N,N-diethyl-3,5-di(propan-2-yl)benzamide (PubChem CID 71210847) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N,N-diethyl-3,5-di(propan-2-yl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-3,5-di(propan-2-yl)benzamide
PubChem CID71210847
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN,N-diethyl-3,5-di(propan-2-yl)benzamide
SMILESCCN(CC)C(=O)c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C17H27NO/c1-7-18(8-2)17(19)16-10-14(12(3)4)9-15(11-16)13(5)6/h9-13H,7-8H2,1-6H3
InChIKeySUFUISVVDYKPNA-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 59369544
CID 59369544
N,N-diethyl-3,5-diiodobenzamide
CID 66651843
3,4,5-trichloro-N,N-diethylbenzamide
CID 50849492
3,5-di(propan-2-yl)benzoic acid
CID 11958988
N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858694
N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide
CID 167035620
4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119732301
3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide
CID 10736703
butyl 2-[[3,5-di(propan-2-yl)benzoyl]-propan-2-ylamino]acetate
CID 23465135
4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
CID 43452953
methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate
CID 61008740
2-amino-N-ethyl-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 113378994

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,5-di(propan-2-yl)benzamide?
The IUPAC name of N,N-diethyl-3,5-di(propan-2-yl)benzamide (CID 71210847) is N,N-diethyl-3,5-di(propan-2-yl)benzamide.
What is the SMILES notation for N,N-diethyl-3,5-di(propan-2-yl)benzamide?
The canonical SMILES for N,N-diethyl-3,5-di(propan-2-yl)benzamide is CCN(CC)C(=O)c1cc(C(C)C)cc(C(C)C)c1.
What is the InChIKey of N,N-diethyl-3,5-di(propan-2-yl)benzamide?
The InChIKey is SUFUISVVDYKPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-7-18(8-2)17(19)16-10-14(12(3)4)9-15(11-16)13(5)6/h9-13H,7-8H2,1-6H3.
What are the key properties of N,N-diethyl-3,5-di(propan-2-yl)benzamide?
N,N-diethyl-3,5-di(propan-2-yl)benzamide has a molecular weight of 261.41 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,5-di(propan-2-yl)benzamide is sourced from PubChem (CID 71210847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).