N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide

C15H22N2O3 — CID 47412911

IUPACN-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)COC(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-10(2)16-15(19)12-6-5-7-13(8-12)17-14(18)9-20-11(3)4/h5-8,10-11H,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyXDPZMFLDUOABQA-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.19
Rot. Bonds6

About N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide

N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide (PubChem CID 47412911) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide
PubChem CID47412911
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)COC(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-10(2)16-15(19)12-6-5-7-13(8-12)17-14(18)9-20-11(3)4/h5-8,10-11H,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyXDPZMFLDUOABQA-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide
CID 24707621
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197376
3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide
CID 81075273
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197433
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112603236
3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197394
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-[3-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604048
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide?
The IUPAC name of N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide (CID 47412911) is N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide.
What is the SMILES notation for N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide?
The canonical SMILES for N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide is CC(C)NC(=O)c1cccc(NC(=O)COC(C)C)c1.
What is the InChIKey of N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide?
The InChIKey is XDPZMFLDUOABQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)16-15(19)12-6-5-7-13(8-12)17-14(18)9-20-11(3)4/h5-8,10-11H,9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide?
N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide has a molecular weight of 278.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide is sourced from PubChem (CID 47412911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).