3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide

C14H21N3O — CID 61094426

IUPAC3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide
SMILESCC(NC(=O)c1ccc(N(C)C)c(N)c1)C1CC1
InChIInChI=1S/C14H21N3O/c1-9(10-4-5-10)16-14(18)11-6-7-13(17(2)3)12(15)8-11/h6-10H,4-5,15H2,1-3H3,(H,16,18)
InChIKeyRGASKQXJFBROPI-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.86
Rot. Bonds4

About 3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide

3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide (PubChem CID 61094426) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide
PubChem CID61094426
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide
SMILESCC(NC(=O)c1ccc(N(C)C)c(N)c1)C1CC1
InChIInChI=1S/C14H21N3O/c1-9(10-4-5-10)16-14(18)11-6-7-13(17(2)3)12(15)8-11/h6-10H,4-5,15H2,1-3H3,(H,16,18)
InChIKeyRGASKQXJFBROPI-UHFFFAOYSA-N
XLogP1.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide
CID 116628580
3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103812285
3,5-diamino-N-(1-cyclopropylethyl)benzamide
CID 61094229
4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
CID 81389087
4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388850
N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
CID 51464805
4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392320
3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide
CID 62092751
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide?
The IUPAC name of 3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide (CID 61094426) is 3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide?
The canonical SMILES for 3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide is CC(NC(=O)c1ccc(N(C)C)c(N)c1)C1CC1.
What is the InChIKey of 3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide?
The InChIKey is RGASKQXJFBROPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9(10-4-5-10)16-14(18)11-6-7-13(17(2)3)12(15)8-11/h6-10H,4-5,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide?
3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide has a molecular weight of 247.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 61094426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).