N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide

C14H21N3O2 — CID 89135948

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccccc1N=O
InChIInChI=1S/C14H21N3O2/c1-14(2,10-17(3)4)9-15-13(18)11-7-5-6-8-12(11)16-19/h5-8H,9-10H2,1-4H3,(H,15,18)
InChIKeyKEJRBBMNGMWZGG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.40
Rot. Bonds6

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide (PubChem CID 89135948) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide
PubChem CID89135948
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccccc1N=O
InChIInChI=1S/C14H21N3O2/c1-14(2,10-17(3)4)9-15-13(18)11-7-5-6-8-12(11)16-19/h5-8H,9-10H2,1-4H3,(H,15,18)
InChIKeyKEJRBBMNGMWZGG-UHFFFAOYSA-N
XLogP2.40
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide;dihydrochloride
CID 119946092
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide
CID 62649866
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103840160
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyridine-3-carboxamide
CID 62235756
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide
CID 62650035
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide
CID 70955109
3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrobenzamide
CID 79817560
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide
CID 103939907
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide
CID 62187110
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 112770794
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3,5-dihydroxybenzamide
CID 103893143
5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
CID 107183328

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide (CID 89135948) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide is CN(C)CC(C)(C)CNC(=O)c1ccccc1N=O.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide?
The InChIKey is KEJRBBMNGMWZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,10-17(3)4)9-15-13(18)11-7-5-6-8-12(11)16-19/h5-8H,9-10H2,1-4H3,(H,15,18).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide has a molecular weight of 263.34 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide is sourced from PubChem (CID 89135948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).