4-acetamido-N-(3-propan-2-yloxypropyl)benzamide

C15H22N2O3 — CID 2228400

IUPAC4-acetamido-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCOC(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)20-10-4-9-16-15(19)13-5-7-14(8-6-13)17-12(3)18/h5-8,11H,4,9-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyMNAOVPRQEVPLDY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.19
Rot. Bonds7

About 4-acetamido-N-(3-propan-2-yloxypropyl)benzamide

4-acetamido-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 2228400) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-acetamido-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID2228400
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-acetamido-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCOC(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)20-10-4-9-16-15(19)13-5-7-14(8-6-13)17-12(3)18/h5-8,11H,4,9-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyMNAOVPRQEVPLDY-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

CID 4913
CID 4913
CID 4342
CID 4342
CID 66068
CID 66068
CID 71417
CID 71417
CID 3994
CID 3994
CID 577832
CID 577832
CID 584435
CID 584435
CID 151118
CID 151118
CID 6918714
CID 6918714
CID 32487
CID 32487
CID 85655
CID 85655
CID 458760
CID 458760

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 4-acetamido-N-(3-propan-2-yloxypropyl)benzamide (CID 2228400) is 4-acetamido-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 4-acetamido-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 4-acetamido-N-(3-propan-2-yloxypropyl)benzamide is CC(=O)Nc1ccc(C(=O)NCCCOC(C)C)cc1.
What is the InChIKey of 4-acetamido-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is MNAOVPRQEVPLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)20-10-4-9-16-15(19)13-5-7-14(8-6-13)17-12(3)18/h5-8,11H,4,9-10H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 4-acetamido-N-(3-propan-2-yloxypropyl)benzamide?
4-acetamido-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 278.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 2228400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).