N-ethyl-2-(propan-2-ylamino)benzamide

C12H18N2O — CID 63107552

IUPACN-ethyl-2-(propan-2-ylamino)benzamide
SMILESCCNC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C12H18N2O/c1-4-13-12(15)10-7-5-6-8-11(10)14-9(2)3/h5-9,14H,4H2,1-3H3,(H,13,15)
InChIKeyVSIMNYXHGDIGKI-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.26
Rot. Bonds4

About N-ethyl-2-(propan-2-ylamino)benzamide

N-ethyl-2-(propan-2-ylamino)benzamide (PubChem CID 63107552) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-ethyl-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-2-(propan-2-ylamino)benzamide
PubChem CID63107552
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-ethyl-2-(propan-2-ylamino)benzamide
SMILESCCNC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C12H18N2O/c1-4-13-12(15)10-7-5-6-8-11(10)14-9(2)3/h5-9,14H,4H2,1-3H3,(H,13,15)
InChIKeyVSIMNYXHGDIGKI-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364
N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide
CID 106340243
N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide
CID 63957461
N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide
CID 63107952
N-(cyclopropylmethyl)-2-(propan-2-ylamino)benzamide
CID 63107544
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide
CID 106257692
N-[2-[ethyl(methyl)amino]ethyl]-2-(propan-2-ylamino)benzamide
CID 63108506
N-(4-hydroxy-2-methylbutyl)-2-(propan-2-ylamino)benzamide
CID 66109306
N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide
CID 63107810
methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate
CID 63108007
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide
CID 106177055

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-ethyl-2-(propan-2-ylamino)benzamide (CID 63107552) is N-ethyl-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-ethyl-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-ethyl-2-(propan-2-ylamino)benzamide is CCNC(=O)c1ccccc1NC(C)C.
What is the InChIKey of N-ethyl-2-(propan-2-ylamino)benzamide?
The InChIKey is VSIMNYXHGDIGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-13-12(15)10-7-5-6-8-11(10)14-9(2)3/h5-9,14H,4H2,1-3H3,(H,13,15).
What are the key properties of N-ethyl-2-(propan-2-ylamino)benzamide?
N-ethyl-2-(propan-2-ylamino)benzamide has a molecular weight of 206.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 63107552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).