3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide

C16H23N3O3 — CID 82070196

IUPAC3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide
SMILESCC(C)CNC(=O)COc1ccc(C(=O)NC2CC2)cc1N
InChIInChI=1S/C16H23N3O3/c1-10(2)8-18-15(20)9-22-14-6-3-11(7-13(14)17)16(21)19-12-4-5-12/h3,6-7,10,12H,4-5,8-9,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVXVXSKINPOOXLK-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.31
Rot. Bonds7

About 3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide

3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide (PubChem CID 82070196) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide
PubChem CID82070196
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide
SMILESCC(C)CNC(=O)COc1ccc(C(=O)NC2CC2)cc1N
InChIInChI=1S/C16H23N3O3/c1-10(2)8-18-15(20)9-22-14-6-3-11(7-13(14)17)16(21)19-12-4-5-12/h3,6-7,10,12H,4-5,8-9,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVXVXSKINPOOXLK-UHFFFAOYSA-N
XLogP1.31
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide
CID 82064208
3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide
CID 61089801
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 171933201
2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
CID 61388717
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
3-amino-4-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid
CID 43379773
N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride
CID 119478225
3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide
CID 82070507
[2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61320899
3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide
CID 93216837
3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide
CID 82070419

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide?
The IUPAC name of 3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide (CID 82070196) is 3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for 3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide is CC(C)CNC(=O)COc1ccc(C(=O)NC2CC2)cc1N.
What is the InChIKey of 3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide?
The InChIKey is VXVXSKINPOOXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10(2)8-18-15(20)9-22-14-6-3-11(7-13(14)17)16(21)19-12-4-5-12/h3,6-7,10,12H,4-5,8-9,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide?
3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide has a molecular weight of 305.38 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 82070196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).