N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide

C12H17N3O — CID 43593768

IUPACN-(2-aminocyclopropyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2CC2N)cc1
InChIInChI=1S/C12H17N3O/c1-15(2)9-5-3-8(4-6-9)12(16)14-11-7-10(11)13/h3-6,10-11H,7,13H2,1-2H3,(H,14,16)
InChIKeyWVQMWKILVPSJEL-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.58
Rot. Bonds3

About N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide

N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide (PubChem CID 43593768) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-4-(dimethylamino)benzamide
PubChem CID43593768
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(2-aminocyclopropyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2CC2N)cc1
InChIInChI=1S/C12H17N3O/c1-15(2)9-5-3-8(4-6-9)12(16)14-11-7-10(11)13/h3-6,10-11H,7,13H2,1-2H3,(H,14,16)
InChIKeyWVQMWKILVPSJEL-UHFFFAOYSA-N
XLogP0.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclohexyl)-4-(dimethylamino)benzamide
CID 61037234
4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490
N-(2-aminocyclopropyl)-4-chlorobenzamide
CID 43593825
4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide
CID 101152324
N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
CID 106367084
N-(2-aminocyclopropyl)-1-oxidopyridin-1-ium-4-carboxamide
CID 130890953
N-(2-aminocyclopropyl)-3,4-difluorobenzamide
CID 43593845
N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide
CID 63214074
N-(2-aminocyclopropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43593856
N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide
CID 61033826
4-(dimethylamino)-N-piperidin-3-ylbenzamide
CID 43146815
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide?
The IUPAC name of N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide (CID 43593768) is N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NC2CC2N)cc1.
What is the InChIKey of N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide?
The InChIKey is WVQMWKILVPSJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15(2)9-5-3-8(4-6-9)12(16)14-11-7-10(11)13/h3-6,10-11H,7,13H2,1-2H3,(H,14,16).
What are the key properties of N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide?
N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide has a molecular weight of 219.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 43593768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).